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Benzeneacetyl chloride, .alpha.-methyl-4-(2-methylpropyl)-

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

Benzeneacetyl chloride, .alpha.-methyl-4-(2-methylpropyl)-
SpectraBase Compound ID CMrgNo0c3l6
InChI InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3
InChIKey QXVRLFIKHYCFJS-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 K3sHIEDcyUU
Name Benzeneacetyl chloride, .alpha.-methyl-4-(2-methylpropyl)-
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/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3
InChIKey QXVRLFIKHYCFJS-UHFFFAOYSA-N
Molecular Weight 224.731 g/mol
SMILES CC(CC1=CC=C(C(C(=O)Cl)C)C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949622