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5-Clorovaleric acid, 4-chloro-2-methylphenyl ester

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5-Clorovaleric acid, 4-chloro-2-methylphenyl ester
SpectraBase Compound ID FPnRvJ0JhnM
InChI InChI=1S/C12H14Cl2O2/c1-9-8-10(14)5-6-11(9)16-12(15)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3
InChIKey WIQVCXJVWBTVAU-UHFFFAOYSA-N
Mol Weight 261.15 g/mol
Molecular Formula C12H14Cl2O2
Exact Mass 260.037085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1AggVA3EvHt
Name 5-Clorovaleric acid, 4-chloro-2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.037085089 u
Formula C12H14Cl2O2
InChI InChI=1S/C12H14Cl2O2/c1-9-8-10(14)5-6-11(9)16-12(15)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3
InChIKey WIQVCXJVWBTVAU-UHFFFAOYSA-N
Molecular Weight 261.148 g/mol
SMILES C(OC1=CC=C(C=C1C)Cl)(CCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801879