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Glutaric acid, butyl 3-phenylpropyl ester

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

Glutaric acid, butyl 3-phenylpropyl ester
SpectraBase Compound ID 4yKfiICtDEC
InChI InChI=1S/C18H26O4/c1-2-3-14-21-17(19)12-7-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKey GTOIZVVEVSFBLT-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Buzc5TtFUjq
Name Glutaric acid, butyl 3-phenylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-2-3-14-21-17(19)12-7-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKey GTOIZVVEVSFBLT-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES CCCCOC(CCCC(OCCCC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801063