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4-oxo-4-Phenylbutyric acid, tetradecyl ester

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

4-oxo-4-Phenylbutyric acid, tetradecyl ester
SpectraBase Compound ID 8dJ9cWwXmms
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-27-24(26)20-19-23(25)22-17-14-13-15-18-22/h13-15,17-18H,2-12,16,19-21H2,1H3
InChIKey YOEZMNOCRCZZST-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DXvi1yEflvz
Name 4-oxo-4-Phenylbutyric acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.282095081 u
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-27-24(26)20-19-23(25)22-17-14-13-15-18-22/h13-15,17-18H,2-12,16,19-21H2,1H3
InChIKey YOEZMNOCRCZZST-UHFFFAOYSA-N
Molecular Weight 374.565 g/mol
SMILES C(C(OCCCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87665