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(1S,4R)-2,2,4-trimethyl-3,6-dimethylene-8-bicyclo[2.2.2]octanone
SpectraBase Compound ID IK2YanxzNwA
InChI InChI=1S/C13H18O/c1-8-7-13(5)9(2)12(3,4)10(8)6-11(13)14/h10H,1-2,6-7H2,3-5H3/t10-,13+/m0/s1
InChIKey HZMMTIKALGQALU-GXFFZTMASA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTMYMAcwUs7
Name (1S,4R)-2,2,4-trimethyl-3,6-dimethylene-8-bicyclo[2.2.2]octanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-8-7-13(5)9(2)12(3,4)10(8)6-11(13)14/h10H,1-2,6-7H2,3-5H3/t10-,13+/m0/s1
InChIKey HZMMTIKALGQALU-GXFFZTMASA-N
Molecular Weight 190.286 g/mol
SMILES [C@]12(C(C[C@](C(C2=C)(C)C)(C(C1)=C)[H])=O)C
SPLASH splash10-053s-0900000000-8048c7e086c6247b2a43
Source of Spectrum J-66-7104-13
Synonyms (1S,4R)-2,2,4-trimethyl-3,6-dimethylene-bicyclo[2.2.2]octan-8-one (1S,4R)-2,2,4-trimethyl-3,6-dimethylidene-bicyclo[2.2.2]octan-8-one
Wiley ID 1536008