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5-Chloropentanoic acid, 3-phenylpropyl ester

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5-Chloropentanoic acid, 3-phenylpropyl ester
SpectraBase Compound ID GmYwssvIwWx
InChI InChI=1S/C14H19ClO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKey NICCMCCUQFRADY-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 J7Ghh8eGyng
Name 5-Chloropentanoic acid, 3-phenylpropyl 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/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKey NICCMCCUQFRADY-UHFFFAOYSA-N
Molecular Weight 254.757 g/mol
SMILES C1(=CC=CC=C1)CCCOC(CCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963516