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

*Links on SpectraBase are not permalinks.

Benzenehexanoic acid, 2,5-dimethoxy-.delta.-oxo-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Benzenehexanoic acid, 2,5-dimethoxy-.delta.-oxo-, methyl ester
SpectraBase Compound ID 4nEfBSl6Cnr
InChI InChI=1S/C15H20O5/c1-18-13-7-8-14(19-2)11(10-13)9-12(16)5-4-6-15(17)20-3/h7-8,10H,4-6,9H2,1-3H3
InChIKey STLOJLWQRNHECN-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID EleZ7TciByI
Name Benzenehexanoic acid, 2,5-dimethoxy-.delta.-oxo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.131073739 u
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-18-13-7-8-14(19-2)11(10-13)9-12(16)5-4-6-15(17)20-3/h7-8,10H,4-6,9H2,1-3H3
InChIKey STLOJLWQRNHECN-UHFFFAOYSA-N
SMILES C=1(C(=CC=C(C1)OC)OC)CC(=O)CCCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930303