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2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malononitrile
SpectraBase Compound ID KXEBSM2HUs5
InChI InChI=1S/C13H18N2/c1-9(2)12-5-4-10(3)6-13(12)11(7-14)8-15/h10-13H,1,4-6H2,2-3H3/t10-,12+,13+/m1/s1
InChIKey HOFLYJSOHALHJD-WXHSDQCUSA-N
Mol Weight 202.3 g/mol
Molecular Formula C13H18N2
Exact Mass 202.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FegTe8OASNP
Name 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malononitrile
Alternate Name(s) 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]propanedinitrile 2-[(1R,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]propanedinitrile 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]propanedinitrile
CAS Registry Number 106431-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2
InChI InChI=1S/C13H18N2/c1-9(2)12-5-4-10(3)6-13(12)11(7-14)8-15/h10-13H,1,4-6H2,2-3H3/t10-,12+,13+/m1/s1
InChIKey HOFLYJSOHALHJD-WXHSDQCUSA-N
Molecular Weight 202.301 g/mol
SMILES [C@]1([C@](C(=C)C)(CC[C@](C1)(C)[H])[H])(C(C#N)C#N)[H]
SPLASH splash10-0006-9410000000-8bdc278099f15d45ae6c
Source of Spectrum J-54-3128-15
Wiley ID 1200163