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[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl]acetic acid, methyl ester
SpectraBase Compound ID 4kR2rKANYu7
InChI InChI=1S/C20H26O8/c1-25-16-10-17(26-2)14(21)9-13(16)20-12(8-19(24)28-4)5-11(6-15(20)22)7-18(23)27-3/h9-12,20-21H,5-8H2,1-4H3
InChIKey WDOSYFBGUSMIEG-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C20H26O8
Exact Mass 394.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TU0i7wcX0P
Name [4-(5-HYDROXY-2,4-DIMETHOXYPHENYL)-3-METHOXYCARBONYLMETHYL-5-OXOCYCLOHEXYL]ACETIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H26O8
InChI InChI=1S/C20H26O8/c1-25-16-10-17(26-2)14(21)9-13(16)20-12(8-19(24)28-4)5-11(6-15(20)22)7-18(23)27-3/h9-12,20-21H,5-8H2,1-4H3
InChIKey WDOSYFBGUSMIEG-UHFFFAOYSA-N
Molecular Weight 394.1620
SMILES Oc1cc(c(OC)cc1OC)C1C(=O)CC(CC1CC(OC)=O)CC(OC)=O
SPLASH splash10-0006-9855000000-ba0c881ee657527ddd6f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany