For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 2SI41FkhU7B
InChI InChI=1S/C22H22O9/c1-9-10(2)19(12(4)20(29-5)16(9)21(27)30-6)31-22(28)15-11(3)13(7-23)17(25)14(8-24)18(15)26/h7-8,25-26H,1-6H3
InChIKey UQQVHPPJLNOECY-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C22H22O9
Exact Mass 430.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HeGo0cAKFKF
Name Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
Alternate Name(s) 3-Methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate 3-Methoxy-4-methoxycarbonyl-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate (2'-O-methylphenarctin)
CAS Registry Number 113689-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O9
InChI InChI=1S/C22H22O9/c1-9-10(2)19(12(4)20(29-5)16(9)21(27)30-6)31-22(28)15-11(3)13(7-23)17(25)14(8-24)18(15)26/h7-8,25-26H,1-6H3
InChIKey UQQVHPPJLNOECY-UHFFFAOYSA-N
Molecular Weight 430.409 g/mol
SMILES Oc1c(c(c(c(c1C=O)C)C(Oc1c(c(OC)c(c(c1C)C)C(=O)OC)C)=O)O)C=O
SPLASH splash10-0006-0930000000-bc7c038ae3812e8b6446
Source of Spectrum B-40-2028-6
Wiley ID 1381460