Product Name2-Mercaptonicotinic acid
CAS38521-46-9
Molecular FormulaC6H5NO2S
Molecular Weight155.17
InChI
InChIKey
Smiles
Mass
MS-IW-8677 2-mercaptonicotinic acid C6H5NO2S (Mass of molecular ion: 155)
Source Temperature: 180 °C Sample Temperature: 220 °C Direct, 75 eV
18.0 3.6 26.0 1.8 27.0 1.8 28.0 5.8 32.0 1.1 34.0 1.1 37.0 2.8 38.0 5.0 39.0 19.7 40.0 1.8 41.0 2.2 44.0 6.8 45.0 7.5 49.0 1.9 50.0 7.8 51.0 10.9 52.0 4.4 53.0 2.1 54.0 1.8 54.5 1.5 55.0 1.6 57.0 3.1 58.0 3.1 59.0 1.2 60.0 1.3 64.0 3.2 65.0 2.1 66.0 4.0 67.0 40.0 68.0 2.3 68.5 2.7 69.0 6.7 70.0 2.5 71.0 1.7 75.0 1.6 76.0 3.7 77.0 6.3 77.5 2.4 78.0 7.9 79.0 4.5 81.0 5.2 82.0 19.0 83.0 17.8 84.0 4.9 85.0 1.3 93.0 9.8 94.0 2.5 98.0 1.3 108.0 1.1 109.0 38.3 110.0 14.6 111.0 40.1 112.0 3.3 113.0 1.8 137.0 61.4 138.0 8.3 139.0 3.4 154.0 1.6 155.0 100.0 156.0 8.9 157.0 5.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C6 H5 N O2 S | 0.041 g : 0.5 ml DMSO-d6 |
2-mercaptonicotinic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
5838.87 14.610 471 3422.85 8.565 924 3420.90 8.560 932 3415.28 8.546 950 3413.33 8.541 956 3276.61 8.199 945 3274.66 8.194 932 3270.51 8.184 1000 3268.80 8.180 923 3263.18 8.166 24 2870.85 7.184 949 2864.75 7.169 979 2863.28 7.165 953 2857.18 7.150 915
in DMSO-d6
KBr disc
nujol mull
2-Mercaptonicotinic acid(38521-46-9) IR1 Atlas of Related Products
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