Product NamePYRIDINE-2-CARBOXALDOXIME METHIODIDE
CAS94-63-3
Molecular FormulaC7H9IN2O
Molecular Weight264.06
InChIInChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
InChIKey QNBVYCDYFJUNLO-UHFFFAOYSA-N
SmilesC1(/C=N/O)C=CC=C[N+]=1C.[I-]
Mass
MS-IW-5402 2-hydroxyiminomethyl-1-methylpyridinium iodide C6H6N2O CH3I (Mass of molecular ion: 264)
Source Temperature: 190 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 11.0 17.0 2.0 18.0 10.4 26.0 3.2 27.0 3.2 28.0 3.9 37.0 1.2 38.0 1.8 39.0 2.3 44.0 2.1 49.0 1.6 50.0 10.7 51.0 12.9 52.0 13.9 53.0 4.2 64.0 2.7 65.0 3.3 75.0 3.3 76.0 7.6 77.0 33.0 78.0 14.1 79.0 25.5 80.0 2.1 92.0 1.5 103.0 2.5 104.0 75.2 105.0 6.2 109.0 2.5 122.0 14.0 123.0 1.2 127.0 26.2 128.0 6.6 139.0 4.0 140.0 3.8 141.0 13.6 142.0 100.0 143.0 1.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C7 H9 I N2 O | 0.039 g : 0.5 ml DMSO-d6 |
2-hydroxyiminomethyl-1-methylpyridinium iodide |
Assign. Shift(ppm) |
Hz ppm Int.
5237.46 13.106 368 3612.41 9.039 110 3611.68 9.038 108 3606.18 9.024 114 3605.63 9.022 110 3474.12 8.693 369 3431.07 8.586 48 3430.71 8.585 48 3430.34 8.584 48 3423.02 8.566 110 3422.65 8.565 110 3415.32 8.546 69 3362.94 8.415 121 3361.47 8.412 128 3354.69 8.395 101 3353.41 8.391 96 3243.70 8.117 70 3242.23 8.113 67 3237.47 8.101 73 3236.00 8.098 126 3234.54 8.094 66 3229.96 8.082 64 3228.31 8.078 60 1759.50 4.403 1000
in DMSO-d6
KBr disc
nujol mull
PYRIDINE-2-CARBOXALDOXIME METHIODIDE(94-63-3) IR2 Atlas of Related Products