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Phenylacetic acid, 6-chlorohexyl ester

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Phenylacetic acid, 6-chlorohexyl ester
SpectraBase Compound ID JqBnKr73JWu
InChI InChI=1S/C14H19ClO2/c15-10-6-1-2-7-11-17-14(16)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKey ULKUCCFGBAKOHQ-UHFFFAOYSA-N
Mol Weight 254.76 g/mol
Molecular Formula C14H19ClO2
Exact Mass 254.107358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IGkfbj8a1ZM
Name Phenylacetic acid, 6-chlorohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.107357550 u
Formula C14H19ClO2
InChI InChI=1S/C14H19ClO2/c15-10-6-1-2-7-11-17-14(16)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKey ULKUCCFGBAKOHQ-UHFFFAOYSA-N
Molecular Weight 254.757 g/mol
SMILES C1=CC=CC=C1CC(=O)OCCCCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938508