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Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID DpFfUO4MLBN
InChI InChI=1S/C17H16O7/c1-7-4-10(6-12(19)13(7)16(21)22)24-17(23)14-8(2)5-11(18)9(3)15(14)20/h4-6,18-20H,1-3H3,(H,21,22)
InChIKey ZZRJKVOZUKXTRP-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C17H16O7
Exact Mass 332.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eq3vNqzAeen
Name Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
Alternate Name(s) 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid Norobtusatic acid
CAS Registry Number 56410-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O7
InChI InChI=1S/C17H16O7/c1-7-4-10(6-12(19)13(7)16(21)22)24-17(23)14-8(2)5-11(18)9(3)15(14)20/h4-6,18-20H,1-3H3,(H,21,22)
InChIKey ZZRJKVOZUKXTRP-UHFFFAOYSA-N
Molecular Weight 332.308 g/mol
SMILES Oc1cc(OC(c2c(c(c(cc2C)O)C)O)=O)cc(c1C(=O)O)C
SPLASH splash10-0gi0-3900000000-2c84ecefb35f7f4f37ae
Source of Spectrum B-28-1122-0
Wiley ID 1329249