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(1R,5S)-3-Ethyl-1,4-dimethylbicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID 2Jbpe2plltA
InChI InChI=1S/C12H18O/c1-4-10-8(2)9-5-6-12(3,7-9)11(10)13/h9H,4-7H2,1-3H3/t9-,12+/m0/s1
InChIKey IHJIJDIHZUXOAD-JOYOIKCWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuAJBXFuhUQ
Name (1R,5S)-3-Ethyl-1,4-dimethylbicyclo[3.2.1]oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-10-8(2)9-5-6-12(3,7-9)11(10)13/h9H,4-7H2,1-3H3/t9-,12+/m0/s1
InChIKey IHJIJDIHZUXOAD-JOYOIKCWSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 178.275 g/mol
SMILES C=1([C@]2(CC[C@](C2)(C(C1CC)=O)C)[H])C
SPLASH splash10-0092-7900000000-6729631abe8317569af0
Source of Spectrum H-87-2019-25
Wiley ID 1785558