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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 4-hydroxy-3-(methoxycarbonyl)phenyl ester
SpectraBase Compound ID BIHKNfae6U8
InChI InChI=1S/C17H16O7/c1-9-6-11(22-2)8-14(19)15(9)17(21)24-10-4-5-13(18)12(7-10)16(20)23-3/h4-8,18-19H,1-3H3
InChIKey KWFIOEGWVRUFED-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C17H16O7
Exact Mass 332.089603 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 6OJvT8jMSec
Name Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 4-hydroxy-3-(methoxycarbonyl)phenyl ester
CAS Registry Number 113487-70-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O7
InChI InChI=1S/C17H16O7/c1-9-6-11(22-2)8-14(19)15(9)17(21)24-10-4-5-13(18)12(7-10)16(20)23-3/h4-8,18-19H,1-3H3
InChIKey KWFIOEGWVRUFED-UHFFFAOYSA-N
Molecular Weight 332.308 g/mol
SMILES Oc1c(cc(OC(c2c(cc(cc2C)OC)O)=O)cc1)C(=O)OC
SPLASH splash10-014i-0900000000-fe3bc24a1a576520089c
Source of Spectrum B-40-1458-14
Synonyms 4'-Hydroxy-3'-methoxycarbonylphenyl 2-hydroxy-4-methoxy-6-methylbenzoate 4-hydroxy-3-(methoxycarbonyl)phenyl 2-hydroxy-4-methoxy-6-methylbenzoate
Wiley ID 1329258