Nicotinic acid(59-67-6) IR2
Product NameNicotinic acid
CAS59-67-6
Molecular FormulaC6H5NO2
Molecular Weight123.11
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
SmilesC1=NC=CC=C1C(O)=O
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Assign. Shift(ppm)
A 13.5 B 9.129 C 8.832 D 8.315 E 7.581Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
166.23 315 1 153.18 888 2 150.21 906 3 136.90 1000 4 126.66 106 5 123.71 418 6Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: ESR : UV IRRAD. OF NA SALT IN H2O RICH MIXED SOLV.
