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(1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1-cyano-(perhydro)naphthalen-3-one
SpectraBase Compound ID GtvfNivDNcO
InChI InChI=1S/C15H23NO/c1-10-11(9-16)15(4)7-5-6-14(2,3)13(15)8-12(10)17/h10-11,13H,5-8H2,1-4H3/t10-,11-,13-,15+/m0/s1
InChIKey IQLAVFPAKBGVNG-TZQJONAQSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B43bwaU7t44
Name (1S,4aS,8aS)-2,5,5,8a-Tetramethyl-1-cyano-(perhydro)naphthalen-3-one
Alternate Name(s) (1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-3-oxodecahydro-1-naphthalenecarbonitrile 2,5,5,8a-Tetramethyl-1-cyano-(perhydro)naphthalen-3-one
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Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-10-11(9-16)15(4)7-5-6-14(2,3)13(15)8-12(10)17/h10-11,13H,5-8H2,1-4H3/t10-,11-,13-,15+/m0/s1
InChIKey IQLAVFPAKBGVNG-TZQJONAQSA-N
Molecular Weight 233.355 g/mol
SMILES [C@]12([C@@](CC([C@]([C@@]2(C#N)[H])(C)[H])=O)(C(C)(C)CCC1)[H])C
SPLASH splash10-06ec-9530000000-fc71fe643a2c9e3f46b5
Source of Spectrum Y4-79-60-20
Wiley ID 1513107