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1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2-2H]prop-2-en-1-one
SpectraBase Compound ID 4aCykfchgyH
InChI InChI=1S/C12H18O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,12+/m0/s1/i5D
InChIKey LEGRUCXBPSXDMQ-CRIVHCDUSA-N
Mol Weight 179.28 g/mol
Molecular Formula C12H172DO
Exact Mass 179.142042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgYFda9Uw5L
Name 1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2-2H]prop-2-en-1-one
Alternate Name(s) 1-((1R,3S)-1-methyl-3-(prop-1-en-2-yl)cyclopentyl)prop-2-en-1-one-2-D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17DO
InChI InChI=1S/C12H18O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,12+/m0/s1/i5D
InChIKey LEGRUCXBPSXDMQ-CRIVHCDUSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 179.281 g/mol
SMILES C[C@]1(CC[C@](C(C)=C)(C1)[H])C(C(=C)[2D])=O
SPLASH splash10-053r-9300000000-d6a8ac6bbf3552fb820b
Source of Spectrum H-87-2019-[2_(2)H]_24
Wiley ID 1785584