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4-oxo-4-Phenylbutyric acid, undecyl ester

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4-oxo-4-Phenylbutyric acid, undecyl ester
SpectraBase Compound ID JqZD13OMFfv
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-13-18-24-21(23)17-16-20(22)19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3
InChIKey JRVCOCYSYOGYPV-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BKVGKJt89od
Name 4-oxo-4-Phenylbutyric acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-13-18-24-21(23)17-16-20(22)19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3
InChIKey JRVCOCYSYOGYPV-UHFFFAOYSA-N
Molecular Weight 332.484 g/mol
SMILES C(C(OCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902147