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Phenylacetic acid, 4-chloro-, hexadecyl ester

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Phenylacetic acid, 4-chloro-, hexadecyl ester
SpectraBase Compound ID L7P9YeqEhnh
InChI InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-22-16-18-23(25)19-17-22/h16-19H,2-15,20-21H2,1H3
InChIKey GADWPBWMJAECSO-UHFFFAOYSA-N
Mol Weight 395.0 g/mol
Molecular Formula C24H39ClO2
Exact Mass 394.263858 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4f5vleJwXAL
Name Phenylacetic acid, 4-chloro-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.263858194 u
Formula C24H39ClO2
InChI InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-22-16-18-23(25)19-17-22/h16-19H,2-15,20-21H2,1H3
InChIKey GADWPBWMJAECSO-UHFFFAOYSA-N
Molecular Weight 395.027 g/mol
SMILES C(OCCCCCCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931666