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Dimethyl hydroxywilfordic acid

View entire compound with spectra: 1 MS (GC)

Dimethyl hydroxywilfordic acid
SpectraBase Compound ID 4qHzOYZLPvh
InChI InChI=1S/C13H17NO5/c1-13(17,12(16)19-3)7-6-10-9(11(15)18-2)5-4-8-14-10/h4-5,8,17H,6-7H2,1-3H3
InChIKey QETUXOKFOWIDMC-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C13H17NO5
Exact Mass 267.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RRM2hQLH2I
Name Dimethyl hydroxywilfordic acid
Alternate Name(s) 2-(3-hydroxy-4-methoxy-3-methyl-4-oxobutyl)-3-pyridinecarboxylic acid methyl ester Methyl 2-(3-hydroxy-4-methoxy-3-methyl-4-oxobutyl)pyridine-3-carboxylate Methyl 2-(3-hydroxy-4-methoxy-3-methyl-4-oxo-butyl)pyridine-3-carboxylate Methyl 2-(4-methoxy-3-methyl-3-oxidanyl-4-oxidanylidene-butyl)pyridine-3-carboxylate
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Formula C13H17NO5
InChI InChI=1S/C13H17NO5/c1-13(17,12(16)19-3)7-6-10-9(11(15)18-2)5-4-8-14-10/h4-5,8,17H,6-7H2,1-3H3
InChIKey QETUXOKFOWIDMC-UHFFFAOYSA-N
Molecular Weight 267.281 g/mol
SMILES OC(CCc1c(cccn1)C(=O)OC)(C(=O)OC)C
SPLASH splash10-005c-3900000000-455a3fe3ec3164101459
Source of Spectrum NP-8-1215-0
Wiley ID 1107081