For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,5-Cyclohexadiene-1-carboxylic acid, 2,6-dimethoxy-1-(3-oxobutyl)-, methyl ester
SpectraBase Compound ID 1Bi1a05J40h
InChI InChI=1S/C14H20O5/c1-10(15)8-9-14(13(16)19-4)11(17-2)6-5-7-12(14)18-3/h6-7H,5,8-9H2,1-4H3
InChIKey KLWHTKZNYIBMEK-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DN6iXtgi52u
Name 2,5-Cyclohexadiene-1-carboxylic acid, 2,6-dimethoxy-1-(3-oxobutyl)-, methyl ester
CAS Registry Number 108161-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-10(15)8-9-14(13(16)19-4)11(17-2)6-5-7-12(14)18-3/h6-7H,5,8-9H2,1-4H3
InChIKey KLWHTKZNYIBMEK-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES C1(C(=O)OC)(C(=CCC=C1OC)OC)CCC(=O)C
SPLASH splash10-0udi-0900000000-e440d78cb6e22a5d1d2f
Source of Spectrum F-42-2891-47
Synonyms 4,6-Dimethoxy-5-methoxycarbonyl-5-(3-oxo-butyl)-cyclohexa-3,6-diene Methyl 2,6-dimethoxy-1-(3-oxobutyl)-2,5-cyclohexadiene-1-carboxylate
Wiley ID 1272002