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1-[(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl]-prop-2-en-1-one
SpectraBase Compound ID 2PPiLa3f3lR
InChI InChI=1S/C12H20O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,9-10H,1,6-8H2,2-4H3/t10-,12+/m0/s1
InChIKey QKDKEKOAWWJCOO-CMPLNLGQSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79yYKX3KpId
Name 1-[(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl]-prop-2-en-1-one
Alternate Name(s) 1-((1R,3S)-3-isopropyl-1-methylcyclopentyl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,9-10H,1,6-8H2,2-4H3/t10-,12+/m0/s1
InChIKey QKDKEKOAWWJCOO-CMPLNLGQSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 180.291 g/mol
SMILES C[C@]1(CC[C@](C(C)C)(C1)[H])C(C=C)=O
SPLASH splash10-05ai-9400000000-11c926deb09108a4a482
Source of Spectrum H-87-2017-9
Wiley ID 1785567