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2-(4-Isobutylphenyl)propanoyl chloride
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIji8ngaZP6
Name 2-(4-Isobutylphenyl)propanoyl chloride
CAS Registry Number 34715-60-1
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 224.731 g/mol
Nominal Mass 224 u
Quality 996
Retention Index 1573
SMILES C1(C(C(Cl)=O)C)=CC=C(C=C1)CC(C)C
SPLASH splash10-03di-3900000000-f1e62fed316c29035172
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzeneacetyl chloride,alpha-methyl-4-(2-methylpropyl)
Technique GC/MS
Wiley ID DD2024_009679