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2,5-Cyclohexadiene-1-carboxylic acid, 2,5-dimethoxy-1-(3-oxobutyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

2,5-Cyclohexadiene-1-carboxylic acid, 2,5-dimethoxy-1-(3-oxobutyl)-, methyl ester
SpectraBase Compound ID 1u05KUF1l5Y
InChI InChI=1S/C14H20O5/c1-10(15)7-8-14(13(16)19-4)9-11(17-2)5-6-12(14)18-3/h6,9H,5,7-8H2,1-4H3
InChIKey YXEIAAABOWYNBJ-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7Je5GiLir1
Name 2,5-Cyclohexadiene-1-carboxylic acid, 2,5-dimethoxy-1-(3-oxobutyl)-, methyl ester
Alternate Name(s) 1,4-Dimethoxy-5-methoxycarbonyl-5-(3-oxo-butyl)-cyclohexa-3,6-diene Methyl 2,5-dimethoxy-1-(3-oxobutyl)-2,5-cyclohexadiene-1-carboxylate
CAS Registry Number 108161-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-10(15)7-8-14(13(16)19-4)9-11(17-2)5-6-12(14)18-3/h6,9H,5,7-8H2,1-4H3
InChIKey YXEIAAABOWYNBJ-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES C1(C(=CCC(=C1)OC)OC)(C(=O)OC)CCC(=O)C
SPLASH splash10-0udi-0910000000-7b28573d2557676c871b
Source of Spectrum F-42-2890-41
Wiley ID 1272000