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(1R,3R,5S)-4-([2H]Methyl)-1,3,4-trimethylbicyclo[3.2.1]octan-2-one
SpectraBase Compound ID LkhzSMZ0k4E
InChI InChI=1S/C12H20O/c1-8-10(13)12(4)6-5-9(7-12)11(8,2)3/h8-9H,5-7H2,1-4H3/t8-,9-,12+/m0/s1/i2D,3D
InChIKey PHYLFSZTJRWILQ-TZWVTBIASA-N
Mol Weight 182.3 g/mol
Molecular Formula C12H182D2O
Exact Mass 182.163969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARKAFtlcvlr
Name (1R,3R,5S)-4-([2H]Methyl)-1,3,4-trimethylbicyclo[3.2.1]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18D2O
InChI InChI=1S/C12H20O/c1-8-10(13)12(4)6-5-9(7-12)11(8,2)3/h8-9H,5-7H2,1-4H3/t8-,9-,12+/m0/s1/i2D,3D
InChIKey PHYLFSZTJRWILQ-TZWVTBIASA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 182.303 g/mol
SMILES C(C1(C[2D])[C@]2(CC[C@](C2)(C([C@@]1(C)[H])=O)C)[H])[2D]
SPLASH splash10-001i-9100000000-1bf9f6dd7dd57d919740
Source of Spectrum H-87-2017-[(2)H]_10
Synonyms (1R,3R,5S)-1,3-dimethyl-4,4-bis(methyl-d)bicyclo[3.2.1]octan-2-one
Wiley ID 1785575