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2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-hydroxypentyl)-2,6-dimethoxy-, methyl ester
SpectraBase Compound ID J07Pqu9SyJx
InChI InChI=1S/C15H24O5/c1-5-11(16)9-10-15(14(17)20-4)12(18-2)7-6-8-13(15)19-3/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKey WHTNZOFAMFSQOA-UHFFFAOYSA-N
Mol Weight 284.35 g/mol
Molecular Formula C15H24O5
Exact Mass 284.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sMQk2hPZxk
Name 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-hydroxypentyl)-2,6-dimethoxy-, methyl ester
Alternate Name(s) Methyl 1-(3'-hydroxypentyl)-2,6-dimethoxy-2,5-cyclohexadiene-1-carboxylate Methyl 1-(3-hydroxypentyl)-2,6-dimethoxy-2,5-cyclohexadiene-1-carboxylate
CAS Registry Number 108161-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O5
InChI InChI=1S/C15H24O5/c1-5-11(16)9-10-15(14(17)20-4)12(18-2)7-6-8-13(15)19-3/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKey WHTNZOFAMFSQOA-UHFFFAOYSA-N
Molecular Weight 284.352 g/mol
SMILES OC(CCC1(C(=O)OC)C(=CCC=C1OC)OC)CC
SPLASH splash10-0udi-0900000000-3a66e89ae79ac0196748
Source of Spectrum F-42-2888-17
Wiley ID 1287780