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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-
SpectraBase Compound ID 6VuxF7Dx2S5
InChI InChI=1S/C17H18O5/c1-20-13-7-8-14(21-2)12(10-13)9-11-5-4-6-15(22-3)16(11)17(18)19/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKey ZJVGUERIONCSMW-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 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 5CAiD6S72lf
Name Benzoic acid, 2-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-
Alternate Name(s) 2-(2,5-dimethoxybenzyl)-6-methoxybenzoic acid 2-Methoxy-6-(2',5'-dimethoxyphenyl)methylbenzoic acid
CAS Registry Number 80893-73-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-20-13-7-8-14(21-2)12(10-13)9-11-5-4-6-15(22-3)16(11)17(18)19/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKey ZJVGUERIONCSMW-UHFFFAOYSA-N
Molecular Weight 302.326 g/mol
SMILES OC(c1c(Cc2c(ccc(c2)OC)OC)cccc1OC)=O
SPLASH splash10-0udi-0049000000-794881332b793182f6c3
Source of Spectrum B-34-2251-0
Wiley ID 1304641