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4,4-dimethyl-1-phenylpentan-1-one
SpectraBase Compound ID 9jWJmYKnpXm
InChI InChI=1S/C13H18O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey WHQVWTONTCQFHT-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkuQVUxJ9q7
Name 4,4-Dimethyl-1-phenyl-1-pentanone
CAS Registry Number 37608-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey WHQVWTONTCQFHT-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4sc01732c
Molecular Weight 190.286 g/mol
SMILES C(CCC(C)(C)C)(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-5ac5e13734c6d78ca46b
Source of Spectrum CSS-5-3983/SMS18-4u
Synonyms 4,4-Dimethyl-1-phenyl-pentan-1-one 4,4-Dimethyl-1-phenylpentan-1-one
Wiley ID 1755115