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

*Links on SpectraBase are not permalinks.

3-(Hepta-1,3-dien-1-yl)pentanedioic acid, dimethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(Hepta-1,3-dien-1-yl)pentanedioic acid, dimethyl ester
SpectraBase Compound ID Dpxkps6PZT0
InChI InChI=1S/C14H22O4/c1-4-5-6-7-8-9-12(10-13(15)17-2)11-14(16)18-3/h6-9,12H,4-5,10-11H2,1-3H3/b7-6+,9-8+
InChIKey RQPOIQYGRWZKNY-BLHCBFLLSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 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 Cv9K4aFLESl
Name 3-(Hepta-1,3-dien-1-yl)pentanedioic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-4-5-6-7-8-9-12(10-13(15)17-2)11-14(16)18-3/h6-9,12H,4-5,10-11H2,1-3H3/b7-6+,9-8+
InChIKey RQPOIQYGRWZKNY-BLHCBFLLSA-N
Molecular Weight 254.326 g/mol
SMILES C(CC(CC(=O)OC)\C=C\C=C\CCC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934425