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Octanoic acid, 4-chlorophenyl ester

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Octanoic acid, 4-chlorophenyl ester
SpectraBase Compound ID DtjhsYGS0YY
InChI InChI=1S/C14H19ClO2/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h8-11H,2-7H2,1H3
InChIKey FSEXRXSPQYSFBC-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 LT2T3rK4LGg
Name Octanoic acid, 4-chlorophenyl 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/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h8-11H,2-7H2,1H3
InChIKey FSEXRXSPQYSFBC-UHFFFAOYSA-N
Molecular Weight 254.757 g/mol
SMILES CCCCCCCC(OC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83458