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(Z)-2-((4aS,8aS)-2,5,5,8a-tetramethyloctahydronaphthalen-1(2H)-ylidene)acetonitrile
SpectraBase Compound ID 8XQjl0zDpjK
InChI InChI=1S/C16H25N/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h8,12,14H,5-7,9-10H2,1-4H3/b13-8-/t12?,14-,16+/m0/s1
InChIKey HKOWAAAKJXALRE-LVDOKKIBSA-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 4mNIDA64Blf
Name (Z)-2-((4aS,8aS)-2,5,5,8a-tetramethyloctahydronaphthalen-1(2H)-ylidene)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/h8,12,14H,5-7,9-10H2,1-4H3/b13-8-/t12?,14-,16+/m0/s1
InChIKey HKOWAAAKJXALRE-LVDOKKIBSA-N
Literature Reference DOI 10.1002/hlca.201300286
Molecular Weight 231.383 g/mol
SMILES CC1([C@@]2(CCC(\C([C@]2(CCC1)C)=C\C#N)C)[H])C
SPLASH splash10-0059-9310000000-65d68350ecfe6cf5dfd9
Source of Spectrum H-97-207-(Z)_(+)_11
Synonyms 2-((4aS,8aS,Z)-2,5,5,8a-tetramethyloctahydronaphthalen-1(2H)-ylidene)acetonitrile
Wiley ID 1784899