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5-Chloropentanoic acid, 2-phenylethyl ester

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5-Chloropentanoic acid, 2-phenylethyl ester
SpectraBase Compound ID DBjWj32uGUE
InChI InChI=1S/C13H17ClO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKey ILFUFIPEFYROMR-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C13H17ClO2
Exact Mass 240.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6kFMwgaMYM
Name 5-Chloropentanoic acid, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.091707485 u
Formula C13H17ClO2
InChI InChI=1S/C13H17ClO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKey ILFUFIPEFYROMR-UHFFFAOYSA-N
Molecular Weight 240.730 g/mol
SMILES C1=CC=CC=C1CCOC(CCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979661