9,10-二氫蒽(613-31-0)紅外圖譜(IR2)
InChI:InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
Smiles:C1=C2C(CC3=C(C2)C=CC=C3)=CC=C1
-
Mass
MS-NW-1882
9,10-dihydroanthracene
C14H12 (Mass of molecular ion: 180)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
39.0 2.2
50.0 1.8
51.0 3.0
62.0 1.6
63.0 5.1
64.0 1.0
74.0 2.0
75.0 3.9
76.0 13.0
76.5 1.8
77.0 2.0
82.5 3.4
87.0 1.9
88.0 7.1
88.5 2.1
89.0 20.6
89.5 5.4
90.0 4.4
115.0 1.6
126.0 1.6
127.0 1.2
128.0 1.2
139.0 1.8
150.0 2.8
151.0 5.7
152.0 8.2
153.0 1.6
163.0 1.0
165.0 19.6
166.0 2.8
175.0 1.3
176.0 10.7
177.0 7.6
178.0 51.0
179.0 94.6
180.0 100.0
181.0 14.1
182.0 1.0
parameter in cyclohexane
400 MHz in CDCl3
parameter in CCl4
parameter in CDCl3
parameter in acetone-d6
-
| 1H NMR |
300 MHz |
| C14 H12
|
0.499 mol% in cyclohexane
|
| 9,10-dihydroanthracene
|
 |
Parameter ppm Hz
D(A) 7.127
D(B) 7.041
J(A,A') 0.58
J(A,B) 7.66
J(A,B') 1.37
J(A',B) 1.37
J(A',B') 7.66
J(B,B') 7.33
D(C) 3.800
DOURIS,J. & MATHIEU,A. BULL.SOC.CHIM.FR. 1971, 3367
|
Hz ppm Int.
2147.63 7.159 11
2146.40 7.155 14
2143.22 7.144 149
2139.82 7.133 197
2137.90 7.126 143
2137.21 7.124 148
2134.15 7.114 278
2130.56 7.102 48
2119.88 7.066 48
2116.29 7.054 269
2113.24 7.044 146
2112.48 7.042 142
2110.59 7.035 199
2107.19 7.024 148
2104.04 7.013 14
2102.81 7.009 11
1140.01 3.800 1000
-
| 1H NMR |
399.65 MHz |
| C14 H12
|
12.5 mg : 0.5 ml CDCl3
|
| 9,10-dihydroanthracene
|
|
Assign. Shift(ppm)
A 7.290
B 7.192
C 3.937
|
Hz ppm Int.
2922.12 7.312 31
2918.58 7.303 253
2915.28 7.295 268
2913.33 7.290 263
2909.67 7.281 356
2905.88 7.272 56
2881.96 7.212 56
2877.93 7.202 453
2874.63 7.193 286
2872.44 7.188 340
2869.02 7.179 359
2865.48 7.170 22
2864.99 7.169 21
1573.61 3.938 1000
-
| 1H NMR |
300 MHz |
| C14 H12
|
0.951 mol% in CCl4
|
| 9,10-dihydroanthracene
|
|
Parameter ppm Hz
D(A) 7.131
D(B) 7.047
J(A,A') 0.59
J(A,B) 7.43
J(A,B') 1.29
J(A',B) 1.29
J(A',B') 7.43
J(B,B') 7.34
D(C) 3.807
DOURIS,J. & MATHIEU,A. BULL.SOC.CHIM.FR. 1971, 3365
|
Hz ppm Int.
2148.75 7.162 10
2147.54 7.158 13
2144.26 7.148 154
2140.96 7.137 200
2139.12 7.130 145
2138.46 7.128 149
2135.50 7.118 279
2131.82 7.106 47
2121.59 7.072 46
2117.94 7.060 279
2114.98 7.050 149
2114.32 7.048 145
2112.48 7.042 200
2109.18 7.031 158
2105.90 7.020 14
2104.68 7.016 10
1142.10 3.807 1000
-
| 1H NMR |
300 MHz |
| C14 H12
|
in CDCl3
|
| 9,10-dihydroanthracene
|
|
Parameter ppm Hz
D(A) 7.14
D(B) 7.22
J(A,A') 0.5
J(A,B) 7.6
J(A,B') 1.3
J(A',B) 1.3
J(A',B') 7.6
J(B,B') 6.9
D(C) 3.83
SHARPLESS,N.E. & BRADLEY,R.B. ORG.MAGN.RESON. 6, 115 (1974)
|
Hz ppm Int.
2175.09 7.250 12
2174.00 7.247 15
2171.11 7.237 148
2167.80 7.226 191
2165.81 7.219 140
2165.08 7.217 146
2162.15 7.207 281
2158.75 7.196 62
2149.28 7.164 62
2145.88 7.153 281
2142.96 7.143 146
2142.22 7.141 140
2140.23 7.134 191
2136.92 7.123 148
2134.03 7.113 15
2132.94 7.110 12
1149.00 3.830 1000
-
| 1H NMR |
300 MHz |
| C14 H12
|
1.077 mol% in acetone-d6
|
| 9,10-dihydroanthracene
|
|
Parameter ppm Hz
D(A) 7.233
D(B) 7.120
J(A,A') 0.21
J(A,B) 7.34
J(A,B') 1.36
J(A',B) 1.36
J(A',B') 7.34
J(B,B') 7.42
D(C) 3.845
DOURIS,J. & MATHIEU,A. BULL.SOC.CHIM.FR. 1971, 3365
|
Hz ppm Int.
2178.46 7.262 15
2174.67 7.249 175
2171.36 7.238 211
2169.17 7.231 175
2165.96 7.220 282
2161.95 7.206 51
2143.99 7.147 51
2139.98 7.133 274
2136.77 7.123 175
2134.57 7.115 211
2131.27 7.104 175
2127.45 7.091 15
1153.50 3.845 1000
ANION RADICAL, REDUCTION WITH K IN DME, -86C