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2,4-Dihydroxy-6-methyl-nicotinic acid pentyl ester

View entire compound with spectra: 1 MS (GC)

2,4-Dihydroxy-6-methyl-nicotinic acid pentyl ester
SpectraBase Compound ID 1EeYSGV1VjD
InChI InChI=1S/C12H17NO4/c1-3-4-5-6-17-12(16)10-9(14)7-8(2)13-11(10)15/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKey RNTNLKARBFKUPG-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7Yq1P4mCkM
Name 2,4-Dihydroxy-6-methyl-nicotinic acid pentyl ester
Alternate Name(s) 4-Hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid pentyl ester Pentyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate Pentyl 6-methyl-4-oxidanyl-2-oxidanylidene-1H-pyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-3-4-5-6-17-12(16)10-9(14)7-8(2)13-11(10)15/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKey RNTNLKARBFKUPG-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES Oc1c(c(nc(c1)C)O)C(=O)OCCCCC
SPLASH splash10-0ufu-3900000000-3b67707aecd4ef6cc150
Wiley ID 1466565