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15,16-Dinorlabda-8(17),12-diene-14-nitrile
SpectraBase Compound ID 37BJdhZhB4z
InChI InChI=1S/C18H27N/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,15-16H,1,7-12H2,2-4H3/b6-5+/t15-,16?,18+/m0/s1
InChIKey LLEYHLHBNNAMQM-MMOZDMFASA-N
Mol Weight 257.42 g/mol
Molecular Formula C18H27N
Exact Mass 257.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN1PM86RzrB
Name 15,16-Dinorlabda-8(17),12-diene-14-nitrile
Alternate Name(s) (2E)-4-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-butenenitrile
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Formula C18H27N
InChI InChI=1S/C18H27N/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,15-16H,1,7-12H2,2-4H3/b6-5+/t15-,16?,18+/m0/s1
InChIKey LLEYHLHBNNAMQM-MMOZDMFASA-N
Molecular Weight 257.421 g/mol
SMILES [C@@]12(C(C(C)(C)CCC2)CCC([C@@]1(C\C=C\C#N)[H])=C)C
SPLASH splash10-067r-9400000000-1e713cfb630b384ec497
Source of Spectrum U-1995-1391-8
Wiley ID 767418