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1-Pentanone, 3-chloro-4,4-dimethyl-1-phenyl-

View entire compound with spectra: 1 FTIR

1-Pentanone, 3-chloro-4,4-dimethyl-1-phenyl-
SpectraBase Compound ID KPay4vZrYwx
InChI InChI=1S/C13H17ClO/c1-13(2,3)12(14)9-11(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey JSPZAXDDVZGJMZ-UHFFFAOYSA-N
Mol Weight 224.73 g/mol
Molecular Formula C13H17ClO
Exact Mass 224.096793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BWMPdr8L6eP
Name 1-Pentanone, 3-chloro-4,4-dimethyl-1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.096792866 u
Formula C13H17ClO
InChI InChI=1S/C13H17ClO/c1-13(2,3)12(14)9-11(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey JSPZAXDDVZGJMZ-UHFFFAOYSA-N
Molecular Weight 224.731 g/mol
SMILES C1=CC=CC(=C1)C(CC(Cl)C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948323