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2-Hydroxy-4,6-dimethyl-5-nitro-nicotinic acid butyl ester
SpectraBase Compound ID Kyd77dWfcBA
InChI InChI=1S/C12H16N2O5/c1-4-5-6-19-12(16)9-7(2)10(14(17)18)8(3)13-11(9)15/h4-6H2,1-3H3,(H,13,15)
InChIKey NSZBCBDQKDUTAG-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C12H16N2O5
Exact Mass 268.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRS4B4Gzvow
Name 2-Hydroxy-4,6-dimethyl-5-nitro-nicotinic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O5
InChI InChI=1S/C12H16N2O5/c1-4-5-6-19-12(16)9-7(2)10(14(17)18)8(3)13-11(9)15/h4-6H2,1-3H3,(H,13,15)
InChIKey NSZBCBDQKDUTAG-UHFFFAOYSA-N
Molecular Weight 268.269 g/mol
SMILES Oc1nc(c(N(=O)=O)c(c1C(=O)OCCCC)C)C
SPLASH splash10-052f-9300000000-432ef70eb2c77acc2cb4
Synonyms 2-keto-4,6-dimethyl-5-nitro-1H-pyridine-3-carboxylic acid butyl ester 4,6-Dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxylic acid butyl ester Butyl 2-hydroxy-4,6-dimethyl-5-nitronicotinate Butyl 4,6-dimethyl-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxylate Butyl 4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate
Wiley ID 1464093