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Benzoic acid, 2-[(1-carboxy-3,5-dimethoxy-2,5-cyclohexadien-1-yl)methyl]-6-methoxy- , 1-methyl ester
SpectraBase Compound ID Fq60sj1GEH0
InChI InChI=1S/C19H22O7/c1-23-13-8-14(24-2)11-19(10-13,18(21)22)9-12-6-5-7-15(25-3)16(12)17(20)26-4/h5-7,10-11H,8-9H2,1-4H3,(H,21,22)
InChIKey OHTDRNLSLMNAKI-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkAWGx4ceTY
Name Benzoic acid, 2-[(1-carboxy-3,5-dimethoxy-2,5-cyclohexadien-1-yl)methyl]-6-methoxy- , 1-methyl ester
CAS Registry Number 80893-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-23-13-8-14(24-2)11-19(10-13,18(21)22)9-12-6-5-7-15(25-3)16(12)17(20)26-4/h5-7,10-11H,8-9H2,1-4H3,(H,21,22)
InChIKey OHTDRNLSLMNAKI-UHFFFAOYSA-N
Molecular Weight 362.378 g/mol
SMILES OC(C1(C=C(OC)CC(=C1)OC)Cc1c(C(=O)OC)c(OC)ccc1)=O
SPLASH splash10-000i-0900000000-f4341b373dbfa57714e0
Source of Spectrum B-34-2250-0
Synonyms 3,5-Dimethoxy-1-(3'-methoxy-2'-methoxycarbonylphenyl)methylcyclohexa-2,5-diene-1-carboxylic acid 3,5-Dimethoxy-1-[3-methoxy-2-(methoxycarbonyl)benzyl]-2,5-cyclohexadiene-1-carboxylic acid
Wiley ID 1349493