2-MERCAPTO-PYRIDIN-3-OL(23003-22-7) MS
Product Name2-MERCAPTO-PYRIDIN-3-OL
CAS23003-22-7
Molecular FormulaC5H5NOS
Molecular Weight127.16
InChIInChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
InChIKey MARYDOMJDFATPK-UHFFFAOYSA-N
SmilesC1(=S)NC=CC=C1O
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MassMS-NW-7657 2-mercapto-3-pyridinol C5H5NOS (Mass of molecular ion: 127)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
26.0 1.1 27.0 1.9 28.0 6.3 37.0 1.7 38.0 6.2 39.0 19.2 40.0 2.0 41.0 1.3 44.0 1.2 45.0 5.6 49.5 2.1 52.0 1.9 53.0 1.4 54.0 6.5 55.0 14.8 59.0 1.0 60.0 1.5 63.5 2.1 64.0 1.7 65.0 4.2 66.0 2.9 67.0 2.5 69.0 2.4 70.0 1.9 71.0 5.6 72.0 6.7 82.0 3.0 83.0 28.7 84.0 1.5 93.0 2.3 94.0 1.3 98.0 6.1 99.0 7.5 100.0 1.7 127.0 100.0 128.0 7.2 129.0 4.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H5 N O S 0.039 g : 0.5 ml DMSO-d6 2-mercapto-3-pyridinol 
Assign. Shift(ppm)
A 14.0 B 8.36 C 7.429 D 7.129 E 6.810
Hz ppm Int.5591.25 13.991 119 3358.90 8.405 26 3355.48 8.397 39 3342.02 8.363 764 2972.77 7.439 682 2971.70 7.436 701 2966.58 7.423 718 2965.72 7.421 696 2862.08 7.162 23 2853.75 7.141 881 2852.47 7.138 885 2846.06 7.122 1000 2844.99 7.119 922 2728.32 6.827 674 2722.12 6.812 779 2720.84 6.809 736 2714.64 6.793 563
DMSO-d6
KBr disc
nujol mull
