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2-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]vinyl]-4,4-dimethyl-cyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

2-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]vinyl]-4,4-dimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID LfjlXB3Zp1b
InChI InChI=1S/C24H36O2/c1-22(2,3)26-21-12-11-19-17(8-7-14-24(19,21)6)9-10-18-16-23(4,5)15-13-20(18)25/h7-10,16-17,19,21H,11-15H2,1-6H3/b10-9-/t17-,19-,21-,24-/m0/s1
InChIKey QRZWMZABUYMQST-SVCDFICBSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKvxDbHWxCI
Name 2-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]vinyl]-4,4-dimethyl-cyclohex-2-en-1-one
Alternate Name(s) 2-[(Z)-2-[(1S,3aS,4S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroinden-4-yl]ethenyl]-4,4-dimethyl-1-cyclohex-2-enone 2-[(Z)-2-[(1S,3aS,4S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroinden-4-yl]ethenyl]-4,4-dimethyl-cyclohex-2-en-1-one
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Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-22(2,3)26-21-12-11-19-17(8-7-14-24(19,21)6)9-10-18-16-23(4,5)15-13-20(18)25/h7-10,16-17,19,21H,11-15H2,1-6H3/b10-9-/t17-,19-,21-,24-/m0/s1
InChIKey QRZWMZABUYMQST-SVCDFICBSA-N
Molecular Weight 356.550 g/mol
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/C2=CC(C)(C)CCC2=O)([H])C=CC1)[H])C
SPLASH splash10-0600-4910000000-4ef50811ad953f31f40b
Source of Spectrum K1-2001-1622-10
Wiley ID 846464