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(2S,6S)-6-tert-butyl-2-phenyl-4-propan-2-yl-cyclohex-3-ene-1,1-dicarbonitrile
SpectraBase Compound ID Ke2ZN322YO5
InChI InChI=1S/C21H26N2/c1-15(2)17-11-18(16-9-7-6-8-10-16)21(13-22,14-23)19(12-17)20(3,4)5/h6-11,15,18-19H,12H2,1-5H3/t18-,19-/m0/s1
InChIKey VISZBLABKVQFFF-OALUTQOASA-N
Mol Weight 306.45 g/mol
Molecular Formula C21H26N2
Exact Mass 306.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kc6yooChXqd
Name (2S,6S)-6-tert-butyl-2-phenyl-4-propan-2-yl-cyclohex-3-ene-1,1-dicarbonitrile
Alternate Name(s) (2S,6S)-6-tert-butyl-4-isopropyl-2-phenyl-cyclohex-3-ene-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2
InChI InChI=1S/C21H26N2/c1-15(2)17-11-18(16-9-7-6-8-10-16)21(13-22,14-23)19(12-17)20(3,4)5/h6-11,15,18-19H,12H2,1-5H3/t18-,19-/m0/s1
InChIKey VISZBLABKVQFFF-OALUTQOASA-N
Molecular Weight 306.453 g/mol
SMILES C1([C@@](C=C(C[C@]1(C(C)(C)C)[H])C(C)C)(c1ccccc1)[H])(C#N)C#N
SPLASH splash10-004i-0900000000-609855b68815bf335508
Source of Spectrum QE-5-303-8
Wiley ID 843923