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Succinic acid, heptyl 2-phenylethyl ester

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

Succinic acid, heptyl 2-phenylethyl ester
SpectraBase Compound ID LDTVhkmUYYp
InChI InChI=1S/C19H28O4/c1-2-3-4-5-9-15-22-18(20)12-13-19(21)23-16-14-17-10-7-6-8-11-17/h6-8,10-11H,2-5,9,12-16H2,1H3
InChIKey KLCZNTXQQKMIPV-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H6s5OqQ7kpc
Name Succinic acid, heptyl 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-2-3-4-5-9-15-22-18(20)12-13-19(21)23-16-14-17-10-7-6-8-11-17/h6-8,10-11H,2-5,9,12-16H2,1H3
InChIKey KLCZNTXQQKMIPV-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES CCCCCCCOC(CCC(OCCC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844569