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Phenylacetic acid, 4-chloro-, tetradecyl ester

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

Phenylacetic acid, 4-chloro-, tetradecyl ester
SpectraBase Compound ID EcORBlYg8rF
InChI InChI=1S/C22H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)19-20-14-16-21(23)17-15-20/h14-17H,2-13,18-19H2,1H3
InChIKey ZWJLYXLUVWPANK-UHFFFAOYSA-N
Mol Weight 367.0 g/mol
Molecular Formula C22H35ClO2
Exact Mass 366.232558 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FQ2ifIMNbIj
Name Phenylacetic acid, 4-chloro-, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.232558065 u
Formula C22H35ClO2
InChI InChI=1S/C22H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)19-20-14-16-21(23)17-15-20/h14-17H,2-13,18-19H2,1H3
InChIKey ZWJLYXLUVWPANK-UHFFFAOYSA-N
Molecular Weight 366.973 g/mol
SMILES C(OCCCCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894594