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5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone

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5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone
SpectraBase Compound ID 2eaH3U79gKi
InChI InChI=1S/C14H19ClO/c1-10(9-13(16)14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey QHHBSSSAHOTAGF-UHFFFAOYSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9MRSYRGXvPK
Name 5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.112442931 u
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c1-10(9-13(16)14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey QHHBSSSAHOTAGF-UHFFFAOYSA-N
Molecular Weight 238.758 g/mol
SMILES C1=C(C=CC(=C1)Cl)C(C)CC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935412