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Benzoic acid, 4-chloro-, phenylmethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzoic acid, 4-chloro-, phenylmethyl ester
SpectraBase Compound ID 1ftVPGqU9Dm
InChI InChI=1S/C14H11ClO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey VBIOKGVOQMIBHO-UHFFFAOYSA-N
Mol Weight 246.69 g/mol
Molecular Formula C14H11ClO2
Exact Mass 246.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CczUFsdFFFf
Name Benzoic acid, 4-chloro-, phenylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.044757292 u
Formula C14H11ClO2
InChI InChI=1S/C14H11ClO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey VBIOKGVOQMIBHO-UHFFFAOYSA-N
Molecular Weight 246.693 g/mol
SMILES C1=C(C=CC(=C1)C(=O)OCC1=CC=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906193