2-QUINOLINETHIOL(2637-37-8) IR2
Product Name2-QUINOLINETHIOL
CAS2637-37-8
Molecular FormulaC9H7NS
Molecular Weight161.22
InChIInChI=1S/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey KXZSVYHFYHTNBI-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C=CC1=S
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MassMS-NW-7193 2-quinolinethiol C9H7NS (Mass of molecular ion: 161)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.1 18.0 4.5 26.0 1.5 27.0 3.0 28.0 2.5 32.0 1.4 37.0 4.0 38.0 5.6 39.0 11.1 40.0 1.1 44.0 1.2 45.0 6.8 49.0 1.7 50.0 12.1 51.0 16.1 52.0 5.7 53.0 1.0 54.0 1.0 57.0 2.3 58.0 2.0 58.5 2.9 61.0 3.8 62.0 6.9 63.0 14.1 64.0 4.8 65.0 2.1 66.0 1.5 66.5 1.0 67.0 3.1 69.0 7.9 70.0 1.5 73.0 1.6 74.0 7.6 75.0 15.2 76.0 7.6 77.0 12.4 78.0 1.9 79.5 1.0 80.0 2.8 80.5 4.8 81.0 1.7 82.0 2.4 86.0 1.4 87.0 2.0 88.0 2.3 89.0 21.6 90.0 12.8 91.0 1.5 93.0 2.4 95.0 1.1 98.0 1.4 99.0 1.4 100.0 1.9 101.0 20.5 102.0 8.0 103.0 1.5 106.0 1.0 107.0 1.0 108.0 1.1 114.0 1.2 115.0 1.2 116.0 9.4 117.0 30.6 118.0 3.1 127.0 2.7 128.0 77.6 129.0 9.9 132.0 1.1 133.0 4.7 134.0 2.2 145.0 4.4 159.0 1.8 160.0 6.1 161.0 100.0 162.0 11.6 163.0 5.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H7 N S 0.041 g : 0.5 ml CDCl3 2-quinolinethiol 
Assign. Shift(ppm)
A 13.47 B 7.69 C 7.68 D 7.624 E 7.570 F 7.478 G 7.330 J(C,F)=9.0HZ. 90MHZ. : HSP-04-771
Hz ppm Int.5383.05 13.470 93 3079.35 7.706 354 3070.80 7.684 1000 3065.92 7.672 67 3061.77 7.662 580 3057.62 7.651 52 3056.15 7.648 48 3051.51 7.636 337 3050.54 7.634 372 3043.46 7.616 375 3042.48 7.613 422 3038.57 7.604 39 3037.11 7.600 38 3033.20 7.590 263 3031.74 7.586 235 3025.88 7.572 325 3024.90 7.569 386 3021.73 7.561 60 3019.78 7.557 64 3017.82 7.552 204 3016.36 7.548 187 2992.68 7.489 647 2983.64 7.466 518 2937.01 7.349 274 2936.04 7.347 278 2928.96 7.329 436 2921.88 7.312 203 2920.90 7.309 191
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1H NMR 89.56 MHz C9 H7 N S 0.038 g : 0.5 ml CDCl3 2-quinolinethiol Assign. Shift(ppm)
A 13.4 B 7.76 to 7.43 C 7.31 400MHZ. : HSP-41-753
Hz ppm Int.1199.90 13.398 55 696.88 7.782 69 692.48 7.733 357 686.62 7.667 791 685.16 7.651 703 683.50 7.632 1000 679.49 7.587 668 678.22 7.573 721 673.14 7.517 827 670.51 7.487 245 668.65 7.466 167 666.11 7.438 141 663.96 7.414 405 663.18 7.405 400 661.23 7.384 291 659.28 7.362 99 656.05 7.326 269 654.69 7.311 202 653.71 7.300 203 652.73 7.289 171 648.83 7.245 111 647.17 7.227 106 645.51 7.208 34
KBr disc
nujol mull
