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1-[(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl]-2-methylprop-2-en-1-one
SpectraBase Compound ID ToIp0DwI1b
InChI InChI=1S/C13H22O/c1-9(2)11-6-7-13(5,8-11)12(14)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3/t11-,13+/m0/s1
InChIKey AOEAKJIRXTYUSF-WCQYABFASA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSFikj4wS4a
Name 1-[(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl]-2-methylprop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9(2)11-6-7-13(5,8-11)12(14)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3/t11-,13+/m0/s1
InChIKey AOEAKJIRXTYUSF-WCQYABFASA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 194.318 g/mol
SMILES C[C@]1(CC[C@](C(C)C)(C1)[H])C(C(C)=C)=O
SPLASH splash10-05fr-8900000000-6170ad16984741963d5b
Source of Spectrum H-87-2018-20
Synonyms 1-((1R,3S)-3-isopropyl-1-methylcyclopentyl)-2-methylprop-2-en-1-one
Wiley ID 1785554