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

*Links on SpectraBase are not permalinks.

Phthalic acid, propyl trans-hex-3-enyl ester

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

Phthalic acid, propyl trans-hex-3-enyl ester
SpectraBase Compound ID B8CEhSURz98
InChI InChI=1S/C17H22O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b6-5+
InChIKey CKQVXANJGMVCSY-AATRIKPKSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 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 DVDm5yOpAz6
Name Phthalic acid, propyl trans-hex-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b6-5+
InChIKey CKQVXANJGMVCSY-AATRIKPKSA-N
SMILES C1(=CC=CC=C1C(OCCC)=O)C(OCC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936695