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

*Links on SpectraBase are not permalinks.

Succinic acid, 2-ethylhexyl 3-phenylpropyl ester

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

Succinic acid, 2-ethylhexyl 3-phenylpropyl ester
SpectraBase Compound ID KJlIrjsxmma
InChI InChI=1S/C21H32O4/c1-3-5-10-18(4-2)17-25-21(23)15-14-20(22)24-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3
InChIKey UQPUXVLOJJHXMR-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 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 2Ns1SRuvsPp
Name Succinic acid, 2-ethylhexyl 3-phenylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-5-10-18(4-2)17-25-21(23)15-14-20(22)24-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3
InChIKey UQPUXVLOJJHXMR-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OCCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960921