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5-Chlorovaleric acid, 3-chlorophenyl ester

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5-Chlorovaleric acid, 3-chlorophenyl ester
SpectraBase Compound ID 5AASP3Yy1Kq
InChI InChI=1S/C11H12Cl2O2/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8H,1-2,6-7H2
InChIKey BUKVTCOEPIYRBG-UHFFFAOYSA-N
Mol Weight 247.12 g/mol
Molecular Formula C11H12Cl2O2
Exact Mass 246.021435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FHcMOx4ITMF
Name 5-Chlorovaleric acid, 3-chlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.021435024 u
Formula C11H12Cl2O2
InChI InChI=1S/C11H12Cl2O2/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8H,1-2,6-7H2
InChIKey BUKVTCOEPIYRBG-UHFFFAOYSA-N
Molecular Weight 247.121 g/mol
SMILES C(CCl)CCC(=O)OC1=CC(=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867213