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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-hydroxy-4-[[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy]-3,6-dimethyl-
SpectraBase Compound ID 5iYm4CSJz3N
InChI InChI=1S/C20H22O8/c1-9-6-13(11(3)17(22)15(9)19(23)24)28-20(25)16-10(2)7-14(26-4)12(8-21)18(16)27-5/h6-7,21-22H,8H2,1-5H3,(H,23,24)
InChIKey JCGQYFWURNBHOJ-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C20H22O8
Exact Mass 390.131468 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 Cn9PpiNQWQM
Name Benzoic acid, 2-hydroxy-4-[[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy]-3,6-dimethyl-
Alternate Name(s) 2-Hydroxy-4-{[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy}-3,6-dimethylbenzoic acid 2-O-methyl-3.alpha.-hydroxybarbatic acid
CAS Registry Number 112899-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O8
InChI InChI=1S/C20H22O8/c1-9-6-13(11(3)17(22)15(9)19(23)24)28-20(25)16-10(2)7-14(26-4)12(8-21)18(16)27-5/h6-7,21-22H,8H2,1-5H3,(H,23,24)
InChIKey JCGQYFWURNBHOJ-UHFFFAOYSA-N
Molecular Weight 390.388 g/mol
SMILES Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(CO)c(cc1C)OC)OC)=O)C
SPLASH splash10-0a4i-0190000000-e8a5e4acee73e191971d
Source of Spectrum B-42-1197-16
Wiley ID 1364714