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6-Heptenoic acid, 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]-, methyl ester
SpectraBase Compound ID 3LXLiG57dZq
InChI InChI=1S/C16H22N2O4/c1-4-5-6-7-14(16(21)22-3)18-9-13-12(10-19)8-17-11(2)15(13)20/h4,8-9,14,19-20H,1,5-7,10H2,2-3H3/b18-9+
InChIKey DTPVMNNKTMMSOQ-GIJQJNRQSA-N
Mol Weight 306.36 g/mol
Molecular Formula C16H22N2O4
Exact Mass 306.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdMLlKtGIJQ
Name 6-Heptenoic acid, 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]-, methyl ester
CAS Registry Number 127949-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-4-5-6-7-14(16(21)22-3)18-9-13-12(10-19)8-17-11(2)15(13)20/h4,8-9,14,19-20H,1,5-7,10H2,2-3H3/b18-9+
InChIKey DTPVMNNKTMMSOQ-GIJQJNRQSA-N
Molecular Weight 306.362 g/mol
SMILES OCc1c(c(c(nc1)C)O)\C=N\C(C(=O)OC)CCCC=C
SPLASH splash10-0002-9502000000-119ccbcb25b47cf9220d
Source of Spectrum F-45-7584-8
Synonyms Methyl 2-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)-6-heptenoate Methyl 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]- hept-6-enoate
Wiley ID 1307970