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Nicotinic acid, 1,6-dihydro-4-hydroxy-1-(p-methoxyphenyl)-2-methyl-6-oxo-, ethyl ester
SpectraBase Compound ID K3lsWqcXhWt
InChI InChI=1S/C16H17NO5/c1-4-22-16(20)15-10(2)17(14(19)9-13(15)18)11-5-7-12(21-3)8-6-11/h5-9,18H,4H2,1-3H3
InChIKey KITGERKHVWHYBL-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4y1lsleqhHj
Name Nicotinic acid, 1,6-dihydro-4-hydroxy-1-(p-methoxyphenyl)-2-methyl-6-oxo-, ethyl ester
Alternate Name(s) Ethyl 4-hydroxy-1-(4-methoxyphenyl)-2-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CAS Registry Number 1159-49-5
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-4-22-16(20)15-10(2)17(14(19)9-13(15)18)11-5-7-12(21-3)8-6-11/h5-9,18H,4H2,1-3H3
InChIKey KITGERKHVWHYBL-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES OC=1C(=C(C)N(C(=O)C1)c1ccc(cc1)OC)C(OCC)=O
SPLASH splash10-0v03-9531000000-fb7652d2506eaf5d0e43
Source of Spectrum T-66-1454-0
Wiley ID 45083