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2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethoxy-1-(3-oxopentyl)-
SpectraBase Compound ID LAM7hm1VvMv
InChI InChI=1S/C14H20O5/c1-4-10(15)5-6-14(13(16)17)8-11(18-2)7-12(9-14)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKey XYZPGFQESONXFO-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 AveSm4guCBQ
Name 2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethoxy-1-(3-oxopentyl)-
Alternate Name(s) 1,3-Dimethoxy-5-hydroxycarbonyl-5-(3-oxo-pentyl)-cyclohexa-3,6-diene 3,5-Dimethoxy-1-(3-oxopentyl)-2,5-cyclohexadiene-1-carboxylic acid
CAS Registry Number 108162-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-4-10(15)5-6-14(13(16)17)8-11(18-2)7-12(9-14)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKey XYZPGFQESONXFO-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES OC(C1(C=C(OC)CC(=C1)OC)CCC(=O)CC)=O
SPLASH splash10-0udi-0930000000-d000a80d418eee434431
Source of Spectrum F-42-2890-39
Wiley ID 1271999