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(1R,2R,4S,4aS,8aS)-1,2-dimethyl-8a-oxidanyl-7-oxidanylidene-4-prop-1-en-2-yl-2,3,4,5,6,8-hexahydro-1H-naphthalene-4a-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1R,2R,4S,4aS,8aS)-1,2-dimethyl-8a-oxidanyl-7-oxidanylidene-4-prop-1-en-2-yl-2,3,4,5,6,8-hexahydro-1H-naphthalene-4a-carbonitrile
SpectraBase Compound ID LcNlblCYoIv
InChI InChI=1S/C16H23NO2/c1-10(2)14-7-11(3)12(4)16(19)8-13(18)5-6-15(14,16)9-17/h11-12,14,19H,1,5-8H2,2-4H3/t11-,12-,14+,15-,16+/m1/s1
InChIKey VKHCOOCIXKWJIR-DEDQRHPVSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EOE8ky9kS9
Name (1R,2R,4S,4aS,8aS)-1,2-dimethyl-8a-oxidanyl-7-oxidanylidene-4-prop-1-en-2-yl-2,3,4,5,6,8-hexahydro-1H-naphthalene-4a-carbonitrile
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Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-10(2)14-7-11(3)12(4)16(19)8-13(18)5-6-15(14,16)9-17/h11-12,14,19H,1,5-8H2,2-4H3/t11-,12-,14+,15-,16+/m1/s1
InChIKey VKHCOOCIXKWJIR-DEDQRHPVSA-N
Molecular Weight 261.365 g/mol
SMILES O[C@]12CC(CC[C@]1([C@@](C[C@]([C@]2(C)[H])(C)[H])(C(=C)C)[H])C#N)=O
SPLASH splash10-0006-9130000000-d98727980c448ba21f71
Source of Spectrum F-56-2091-0
Synonyms (1R,2R,4S,4aS,8aS)-8a-hydroxy-1,2-dimethyl-4-(1-methylethenyl)-7-oxo-2,3,4,5,6,8-hexahydro-1H-naphthalene-4a-carbonitrile (1R,2R,4S,4aS,8aS)-8a-hydroxy-1,2-dimethyl-7-oxo-4-prop-1-en-2-yl-2,3,4,5,6,8-hexahydro-1H-naphthalene-4a-carbonitrile (1R,2R,4S,4aS,8aS)-8a-hydroxy-4-isopropenyl-1,2-dimethyl-7-oxo-decalin-4a-carbonitrile (1R,2R,4S,4aS,8aS)-8a-hydroxy-4-isopropenyl-7-keto-1,2-dimethyl-decalin-4a-carbonitrile
Wiley ID 856348