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Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID 2iWj3VDfT4a
InChI InChI=1S/C18H18O7/c1-8-5-11(7-12(19)14(8)17(21)22)25-18(23)15-9(2)6-13(24-4)10(3)16(15)20/h5-7,19-20H,1-4H3,(H,21,22)
InChIKey GEZCJRBINSDUSC-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fwIWHdIIvT
Name Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
Alternate Name(s) .beta.-resorcylic acid, 6-methyl-, 4-(2-hydroxy-3,6-dimethyl-p-anisate) 2-Hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-6-methylbenzoic acid 2-Hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-oxomethoxy]-6-methylbenzoic acid 4-(4-Methoxy-3,6-dimethyl-2-oxidanyl-phenyl)carbonyloxy-2-methyl-6-oxidanyl-benzoic acid 4-O-demethylbarbatic acid 4-O-desmethylbarbatinic acid Obtusatic acid Ramalic acid 2-Hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-6-methylbenzoic acid
CAS Registry Number 500-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O7
InChI InChI=1S/C18H18O7/c1-8-5-11(7-12(19)14(8)17(21)22)25-18(23)15-9(2)6-13(24-4)10(3)16(15)20/h5-7,19-20H,1-4H3,(H,21,22)
InChIKey GEZCJRBINSDUSC-UHFFFAOYSA-N
Molecular Weight 346.335 g/mol
SMILES Oc1cc(cc(c1C(=O)O)C)OC(c1c(c(C)c(cc1C)OC)O)=O
SPLASH splash10-014r-2900000000-cc6806e20ac114b3ced6
Source of Spectrum B-28-1122-0
Wiley ID 1339144