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2,5-Cyclohexadiene-1-carboxylic acid, 2,5-dimethoxy-1-(3-oxopentyl)-
SpectraBase Compound ID IXBzTAIfWpW
InChI InChI=1S/C14H20O5/c1-4-10(15)7-8-14(13(16)17)9-11(18-2)5-6-12(14)19-3/h6,9H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKey CHCXTRUYYHRQKA-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 1WG8pKXvnnq
Name 2,5-Cyclohexadiene-1-carboxylic acid, 2,5-dimethoxy-1-(3-oxopentyl)-
Alternate Name(s) 1,4-Dimethoxy-5-hydroxycarbonyl-5-(3-oxo-pentyl)-cyclohexa-3,6-diene 2,5-Dimethoxy-1-(3-oxopentyl)-2,5-cyclohexadiene-1-carboxylic acid
CAS Registry Number 108162-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-4-10(15)7-8-14(13(16)17)9-11(18-2)5-6-12(14)19-3/h6,9H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKey CHCXTRUYYHRQKA-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES OC(C1(C(=CCC(=C1)OC)OC)CCC(=O)CC)=O
SPLASH splash10-0udi-0900000000-c77487c60f23ab40bb6f
Source of Spectrum F-42-2890-43
Wiley ID 1272001