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2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethoxy-1-(3-oxobutyl)-, methyl ester
SpectraBase Compound ID 1boLCnBNbFB
InChI InChI=1S/C14H20O5/c1-10(15)5-6-14(13(16)19-4)8-11(17-2)7-12(9-14)18-3/h8-9H,5-7H2,1-4H3
InChIKey FHWVOCGDBJUFMT-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 IkY9t1NtuAK
Name 2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethoxy-1-(3-oxobutyl)-, methyl ester
Alternate Name(s) 1,3-Dimethoxy-5-methoxycarbonyl-5-(3-oxo-butyl)-cyclohexa-3,6-diene Methyl 3,5-dimethoxy-1-(3-oxobutyl)-2,5-cyclohexadiene-1-carboxylate
CAS Registry Number 108161-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-10(15)5-6-14(13(16)19-4)8-11(17-2)7-12(9-14)18-3/h8-9H,5-7H2,1-4H3
InChIKey FHWVOCGDBJUFMT-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES C1(C=C(OC)CC(=C1)OC)(C(=O)OC)CCC(=O)C
SPLASH splash10-0zfr-0960000000-227b9b1f38dde2637347
Source of Spectrum F-42-2890-37
Wiley ID 1271998