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4'-Chlorophenyl 3-chloro-3-methylbutanoate

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4'-Chlorophenyl 3-chloro-3-methylbutanoate
SpectraBase Compound ID B2Y4Mm3ZHBm
InChI InChI=1S/C11H12Cl2O2/c1-11(2,13)7-10(14)15-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKey DYIQTHZWYCLZHF-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 AOZdCcDx4zL
Name 4'-Chlorophenyl 3-chloro-3-methylbutanoate
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/c1-11(2,13)7-10(14)15-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3
InChIKey DYIQTHZWYCLZHF-UHFFFAOYSA-N
Molecular Weight 247.121 g/mol
SMILES C(CC(Cl)(C)C)(OC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924874