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2-cyano-5,5,8,8-tetramethyl-tricyclo[4.1.1(4,6).0.0(4,6)]octane
SpectraBase Compound ID E2g3BbiNk0h
InChI InChI=1S/C13H19N/c1-10(2)12-6-5-9(8-14)7-13(10,12)11(12,3)4/h9H,5-7H2,1-4H3/t9?,12-,13+
InChIKey GRYDUNYMJCXRPJ-MVCUKOFQSA-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 3XgVkxGbc8
Name 2-cyano-5,5,8,8-tetramethyl-tricyclo[4.1.1(4,6).0.0(4,6)]octane
Alternate Name(s) 7,7,8,8-tetramethyltricyclo[4.1.1.0(1,6)]octane-3-carbonitrile
CAS Registry Number 103667-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N
InChI InChI=1S/C13H19N/c1-10(2)12-6-5-9(8-14)7-13(10,12)11(12,3)4/h9H,5-7H2,1-4H3/t9?,12-,13+
InChIKey GRYDUNYMJCXRPJ-MVCUKOFQSA-N
Molecular Weight 189.302 g/mol
SMILES [C@]123[C@](CC(C#N)CC3)(C1(C)C)C2(C)C
SPLASH splash10-05mn-2900000000-ec0d88cf65f328c332c6
Source of Spectrum K-119-3098-0
Wiley ID 1185920