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(+)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethylnaphthalen-1-yl]acetonitrile
SpectraBase Compound ID 1um1DKFOwcm
InChI InChI=1S/C16H25N/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h14H,5-10H2,1-4H3/t14-,16+/m0/s1
InChIKey ABJCWLBZIXBUCT-GOEBONIOSA-N
Mol Weight 231.38 g/mol
Molecular Formula C16H25N
Exact Mass 231.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4B4yNOzHO1s
Name (+)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethylnaphthalen-1-yl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N
InChI InChI=1S/C16H25N/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h14H,5-10H2,1-4H3/t14-,16+/m0/s1
InChIKey ABJCWLBZIXBUCT-GOEBONIOSA-N
Literature Reference DOI 10.1002/hlca.201300286
Molecular Weight 231.383 g/mol
SMILES CC1([C@@]2(CCC(=C([C@]2(CCC1)C)CC#N)C)[H])C
SPLASH splash10-00xv-3910000000-aebb5f6696bb860e9219
Source of Spectrum H-97-208-(+)_11
Synonyms 2-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)acetonitrile
Wiley ID 1784870