4-(2-THIAZOLYLAZO)RESORCINOL(2246-46-0) IR2
Product Name4-(2-THIAZOLYLAZO)RESORCINOL
CAS2246-46-0
Molecular FormulaC9H7N3O2S
Molecular Weight221.24
InChIInChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H
InChIKey SHNIKUXMZFPPCS-UHFFFAOYSA-N
SmilesC1(O)=CC=C(N=NC2=NC=CS2)C(O)=C1
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MassMS-NW-7144 4-(2-thiazolylazo)resorcinol C9H7N3O2S (Mass of molecular ion: 221)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.3 18.0 5.2 26.0 4.1 27.0 12.9 28.0 7.7 29.0 4.1 31.0 1.2 32.0 1.1 37.0 1.9 38.0 4.8 39.0 23.3 40.0 5.9 41.0 5.6 42.0 5.2 43.0 2.1 44.0 2.0 45.0 18.7 46.0 2.4 47.0 1.1 50.0 5.2 51.0 11.8 52.0 21.5 53.0 26.6 54.0 4.6 55.0 20.8 56.0 1.0 57.0 8.2 58.0 23.4 59.0 5.7 60.0 1.6 61.0 1.0 62.0 1.6 63.0 6.2 64.0 1.8 65.0 2.7 66.0 4.6 67.0 5.3 68.0 6.4 69.0 32.0 70.0 2.6 71.0 2.5 73.0 2.7 76.0 1.6 77.0 2.6 78.0 2.8 79.0 6.2 80.0 20.2 81.0 57.3 82.0 4.0 82.5 1.0 83.0 1.4 84.0 3.4 85.0 6.7 86.0 12.0 87.0 1.1 92.0 1.3 93.0 2.2 94.0 2.0 95.0 9.9 96.0 1.7 98.0 1.2 99.0 2.8 100.0 9.8 101.0 1.3 104.0 1.2 108.0 6.3 109.0 100.0 110.0 8.1 110.5 2.5 111.0 1.4 112.0 1.3 120.0 11.0 121.0 1.8 122.0 5.3 123.0 2.6 124.0 1.7 125.0 1.9 126.0 1.4 132.0 1.9 135.0 2.1 136.0 10.2 137.0 38.1 138.0 3.8 139.0 1.2 148.0 3.7 152.0 2.5 164.0 3.1 165.0 10.9 166.0 1.5 167.0 2.5 176.0 1.1 178.0 1.3 192.0 9.1 193.0 52.2 194.0 6.6 195.0 3.3 220.0 2.1 221.0 82.2 222.0 10.5 223.0 5.2 243.0 2.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H7 N3 O2 S 0.040 g : 0.5 ml DMSO-d6 4-(2-thiazolylazo)resorcinol 
Assign. Shift(ppm)
A *1 11.4 B *1 11.0 C 7.999 D 7.763 E 7.708 F 6.536 G 6.495
Hz ppm Int.
4564.69 11.422 155 4380.79 10.962 75 3201.02 8.010 43 3198.45 8.004 857 3195.16 7.995 855 3107.60 7.776 37 3104.31 7.768 1000 3101.01 7.760 881 3098.81 7.754 34 3085.26 7.720 639 3082.14 7.713 26 3081.41 7.711 25 3076.28 7.698 657 2618.00 6.551 336 2615.43 6.545 385 2609.02 6.529 292 2606.64 6.523 434 2602.25 6.512 32 2597.12 6.499 724 2594.55 6.493 519
in DMSO-d6
KBr disc
nujol mull
