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Bicyclo[3.1.1]hept-2-ene-2-acetonitrile, .alpha.,.alpha.,6,6-tetramethyl-, (1R)-
SpectraBase Compound ID BK7Fsq2Scjy
InChI InChI=1S/C13H19N/c1-12(2,8-14)10-6-5-9-7-11(10)13(9,3)4/h6,9,11H,5,7H2,1-4H3/t9?,11-/m0/s1
InChIKey MUUJADVKJKEHEZ-UMJHXOGRSA-N
Mol Weight 189.3 g/mol
Molecular Formula C13H19N
Exact Mass 189.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GywVZwT4PPY
Name Bicyclo[3.1.1]hept-2-ene-2-acetonitrile, .alpha.,.alpha.,6,6-tetramethyl-, (1R)-
CAS Registry Number 85198-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N
InChI InChI=1S/C13H19N/c1-12(2,8-14)10-6-5-9-7-11(10)13(9,3)4/h6,9,11H,5,7H2,1-4H3/t9?,11-/m0/s1
InChIKey MUUJADVKJKEHEZ-UMJHXOGRSA-N
Molecular Weight 189.302 g/mol
SMILES [C@@]12(C(=CCC(C2)C1(C)C)C(C#N)(C)C)[H]
SPLASH splash10-00or-9400000000-dcb3dcbb39f6af2f826f
Source of Spectrum H-65-2707-0
Synonyms (1R)-10,10-Dimethyl-2-pinene-10-carbonitrile 2-[(1R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-2-methylpropanenitrile
Wiley ID 1185899