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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2,4-dimethoxy-6-propyl-, 4-carboxy-3-hydroxy-5-propylphenyl ester
SpectraBase Compound ID A1HrwWLkCKO
InChI InChI=1S/C22H26O7/c1-5-7-13-10-16(11-17(23)19(13)21(24)25)29-22(26)20-14(8-6-2)9-15(27-3)12-18(20)28-4/h9-12,23H,5-8H2,1-4H3,(H,24,25)
InChIKey DVGFKUPJVKIPEQ-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 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 FEB0N6qHJuz
Name Benzoic acid, 2,4-dimethoxy-6-propyl-, 4-carboxy-3-hydroxy-5-propylphenyl ester
Alternate Name(s) 4-(2',4'-Dimethoxy-6'-propylbenzoyloxy)-2-hydroxy-6-propylbenzoic acid 4-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid
CAS Registry Number 104307-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-5-7-13-10-16(11-17(23)19(13)21(24)25)29-22(26)20-14(8-6-2)9-15(27-3)12-18(20)28-4/h9-12,23H,5-8H2,1-4H3,(H,24,25)
InChIKey DVGFKUPJVKIPEQ-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCC)OC(c1c(cc(cc1CCC)OC)OC)=O
SPLASH splash10-0a4i-0790000000-4825e3ebb9cf05be0424
Source of Spectrum B-38-1869-1
Wiley ID 1370355