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1,2-Naphthalenedicarbonitrile, 1,5,6,7,8,8a-hexahydro-5,5-dimethyl-, trans-(.+-.)-
SpectraBase Compound ID CNr16v2nfS0
InChI InChI=1S/C14H16N2/c1-14(2)7-3-4-11-12(9-16)10(8-15)5-6-13(11)14/h5-6,11-12H,3-4,7H2,1-2H3/t11-,12-/m0/s1
InChIKey TUUXXDLUZRUYAY-RYUDHWBXSA-N
Mol Weight 212.3 g/mol
Molecular Formula C14H16N2
Exact Mass 212.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rFbMn65Xb7
Name 1,2-Naphthalenedicarbonitrile, 1,5,6,7,8,8a-hexahydro-5,5-dimethyl-, trans-(.+-.)-
Alternate Name(s) (1R,8aS)-5,5-dimethyl-1,5,6,7,8,8a-hexahydro-1,2-naphthalenedicarbonitrile (4aRS,5RS)-1,2,3,4,4a,5-hexahydro-1,1-dimethylnaphthalene
CAS Registry Number 130487-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2
InChI InChI=1S/C14H16N2/c1-14(2)7-3-4-11-12(9-16)10(8-15)5-6-13(11)14/h5-6,11-12H,3-4,7H2,1-2H3/t11-,12-/m0/s1
InChIKey TUUXXDLUZRUYAY-RYUDHWBXSA-N
Molecular Weight 212.296 g/mol
SMILES C12=CC=C([C@@]([C@@]2(CCCC1(C)C)[H])(C#N)[H])C#N
SPLASH splash10-014i-4900000000-a8ebeedf4690795f5a5c
Source of Spectrum H-73-649-33
Wiley ID 1212049