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1-(5-Tert-butyl-2-chlorophenyl)-2,2-dimethyl-1-propanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(5-Tert-butyl-2-chlorophenyl)-2,2-dimethyl-1-propanone
SpectraBase Compound ID AtyWbzWYGxw
InChI InChI=1S/C15H21ClO/c1-14(2,3)10-7-8-12(16)11(9-10)13(17)15(4,5)6/h7-9H,1-6H3
InChIKey MECUXGMBXLRZIG-UHFFFAOYSA-N
Mol Weight 252.78 g/mol
Molecular Formula C15H21ClO
Exact Mass 252.128093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8jMEzGxIvQe
Name 1-(5-Tert-butyl-2-chlorophenyl)-2,2-dimethyl-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.128092995 u
Formula C15H21ClO
InChI InChI=1S/C15H21ClO/c1-14(2,3)10-7-8-12(16)11(9-10)13(17)15(4,5)6/h7-9H,1-6H3
InChIKey MECUXGMBXLRZIG-UHFFFAOYSA-N
Molecular Weight 252.785 g/mol
SMILES C=1(C(C(C)(C)C)=O)C=C(C(C)(C)C)C=CC1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969198