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4-Methylphenyl3-chlorobenzoate

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

4-Methylphenyl3-chlorobenzoate
SpectraBase Compound ID KMK4xxgdX7u
InChI InChI=1S/C14H11ClO2/c1-10-5-7-13(8-6-10)17-14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
InChIKey GQGKQVFTYSXOPH-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 LnZShyWYuwm
Name 4-Methylphenyl3-chlorobenzoate
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/c1-10-5-7-13(8-6-10)17-14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
InChIKey GQGKQVFTYSXOPH-UHFFFAOYSA-N
Molecular Weight 246.693 g/mol
SMILES C(C1=CC(=CC=C1)Cl)(=O)OC1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803527