2-Chlorostyrene(2039-87-4) MS
Product Name2-Chlorostyrene
CAS2039-87-4
Molecular FormulaC8H7Cl
Molecular Weight138.59
InChIInChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey ISRGONDNXBCDBM-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC=C1C=C
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MassMS-NW-9257 o-chlorostyrene C8H7Cl (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.2 38.0 1.5 39.0 2.4 49.0 1.1 50.0 8.9 51.0 19.5 52.0 2.2 61.0 1.1 62.0 2.0 63.0 4.1 68.0 1.1 69.0 3.4 70.0 1.0 73.0 1.7 74.0 5.6 75.0 10.9 76.0 6.8 77.0 24.3 78.0 2.6 98.0 1.1 101.0 9.8 102.0 17.3 103.0 93.0 104.0 8.2 111.0 1.0 112.0 3.1 114.0 1.0 136.0 1.1 137.0 3.8 138.0 100.0 139.0 11.0 140.0 33.1 141.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 Cl 0.05 ml : 0.5 ml CDCl3 o-chlorostyrene 
Assign. Shift(ppm)
A 7.524 B 7.320 C 7.18 D 7.15 E 7.098 F 5.709 G 5.350
Hz ppm Int.3012.70 7.539 633 3010.86 7.534 715 3005.00 7.520 678 3003.17 7.515 769 2930.18 7.332 690 2928.71 7.329 717 2928.10 7.327 597 2922.36 7.313 930 2920.90 7.309 965 2880.98 7.209 262 2880.37 7.208 269 2879.52 7.206 334 2878.91 7.204 295 2876.83 7.199 107 2873.66 7.191 701 2873.05 7.189 709 2872.19 7.187 717 2866.21 7.172 647 2865.72 7.171 612 2864.50 7.168 630 2863.89 7.166 640 2862.92 7.164 778 2860.84 7.159 779 2855.22 7.145 701 2853.39 7.140 780 2851.20 7.135 670 2847.78 7.126 304 2845.95 7.122 278 2840.09 7.107 598 2833.62 7.091 601 2822.63 7.063 611 2290.89 5.733 947 2289.79 5.730 1000 2273.32 5.689 895 2272.34 5.686 932 2144.29 5.366 956 2143.31 5.363 1000 2133.30 5.338 946 2132.20 5.336 988
in CDCl3
liquid film
