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(3S,3aS,7aS)-3a-methyl-7a-oxidanyl-3-phenyl-1,2,3,5,6,7-hexahydroinden-4-one

View entire compound with spectra: 1 MS (GC)

(3S,3aS,7aS)-3a-methyl-7a-oxidanyl-3-phenyl-1,2,3,5,6,7-hexahydroinden-4-one
SpectraBase Compound ID 3Gqbqq8eQ3B
InChI InChI=1S/C16H20O2/c1-15-13(12-6-3-2-4-7-12)9-11-16(15,18)10-5-8-14(15)17/h2-4,6-7,13,18H,5,8-11H2,1H3/t13-,15+,16-/m0/s1
InChIKey YANQOCFGJGIQSW-IMJJTQAJSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDAlB8hFbrn
Name (3S,3aS,7aS)-3a-methyl-7a-oxidanyl-3-phenyl-1,2,3,5,6,7-hexahydroinden-4-one
Alternate Name(s) (3S,3aS,7aS)-7a-hydroxy-3a-methyl-3-phenyl-1,2,3,5,6,7-hexahydroinden-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-15-13(12-6-3-2-4-7-12)9-11-16(15,18)10-5-8-14(15)17/h2-4,6-7,13,18H,5,8-11H2,1H3/t13-,15+,16-/m0/s1
InChIKey YANQOCFGJGIQSW-IMJJTQAJSA-N
Molecular Weight 244.334 g/mol
SMILES O[C@@]12[C@]([C@@](CC2)(c2ccccc2)[H])(C(=O)CCC1)C
SPLASH splash10-0avl-9700000000-4851c7a77af73bab37c5
Source of Spectrum F-62-7812-5
Wiley ID 1640365