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[(1R,3S)-3-(1-Methyl[1-2H]ethyl)-1-methylcyclopent-1-yl](phenyl)methanon
SpectraBase Compound ID 2GTxHXbb5bn
InChI InChI=1S/C16H22O/c1-12(2)14-9-10-16(3,11-14)15(17)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,16+/m0/s1/i12D
InChIKey DVVMERLETKPIBC-AUCOVBIPSA-N
Mol Weight 231.36 g/mol
Molecular Formula C16H212DO
Exact Mass 231.173342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJmd3udVcZM
Name [(1R,3S)-3-(1-Methyl[1-2H]ethyl)-1-methylcyclopent-1-yl](phenyl)methanon
Alternate Name(s) ((1R,3S)-1-methyl-3-(propan-2-yl-2-d)cyclopentyl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21DO
InChI InChI=1S/C16H22O/c1-12(2)14-9-10-16(3,11-14)15(17)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,16+/m0/s1/i12D
InChIKey DVVMERLETKPIBC-AUCOVBIPSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 231.357 g/mol
SMILES C[C@]1(C(c2ccccc2)=O)C[C@@](C(C)(C)[2D])(CC1)[H]
SPLASH splash10-0aor-9700000000-da29c6070561311b5d44
Source of Spectrum H-87-2020-[(2)H]_26
Wiley ID 1785579