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(1R,5S)-4-([2H]Methyl)-1,3-dimethylbicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID EAB4mWHVg4a
InChI InChI=1S/C11H16O/c1-7-8(2)10(12)11(3)5-4-9(7)6-11/h9H,4-6H2,1-3H3/t9-,11+/m0/s1/i1D
InChIKey QBCQTZHOXXSXTE-QSGDSIKKSA-N
Mol Weight 165.25 g/mol
Molecular Formula C11H152DO
Exact Mass 165.126392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KphGpdSsydW
Name (1R,5S)-4-([2H]Methyl)-1,3-dimethylbicyclo[3.2.1]oct-3-en-2-one
Alternate Name(s) (1R,5S)-1,3-dimethyl-4-(methyl-d)bicyclo[3.2.1]oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15DO
InChI InChI=1S/C11H16O/c1-7-8(2)10(12)11(3)5-4-9(7)6-11/h9H,4-6H2,1-3H3/t9-,11+/m0/s1/i1D
InChIKey QBCQTZHOXXSXTE-QSGDSIKKSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 165.254 g/mol
SMILES C=1([C@]2(CC[C@](C2)(C(C1C)=O)C)[H])C[2D]
SPLASH splash10-0a59-8900000000-e004d56e6a277d996077
Source of Spectrum H-87-2018-[(2)H]_21
Wiley ID 1785578