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3-Azetidinecarbonitrile, 2-(1-cyano-2,2-dimethylpropylidene)-3-(1,1-dimethylethyl)-1-methyl-4- phenyl-, cis-
SpectraBase Compound ID JibjCKFR2ft
InChI InChI=1S/C21H27N3/c1-19(2,3)16(13-22)18-21(14-23,20(4,5)6)17(24(18)7)15-11-9-8-10-12-15/h8-12,17H,1-7H3/b18-16-/t17-,21-/m0/s1
InChIKey NIUGHMRVVJGGER-JEMLYTSRSA-N
Mol Weight 321.47 g/mol
Molecular Formula C21H27N3
Exact Mass 321.220498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IUYvMlb1n2
Name 3-Azetidinecarbonitrile, 2-(1-cyano-2,2-dimethylpropylidene)-3-(1,1-dimethylethyl)-1-methyl-4- phenyl-, cis-
Alternate Name(s) (2E,3R,4S)-3-tert-butyl-2-(1-cyano-2,2-dimethylpropylidene)-1-methyl-4-phenyl-3-azetidinecarbonitrile 3-t-butyl-2-(1-cyano-2,2-dimethylpropylidene)-1-methyl-c-4-phenylazetidine-r-3-carbonitrile
CAS Registry Number 74553-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3
InChI InChI=1S/C21H27N3/c1-19(2,3)16(13-22)18-21(14-23,20(4,5)6)17(24(18)7)15-11-9-8-10-12-15/h8-12,17H,1-7H3/b18-16-/t17-,21-/m0/s1
InChIKey NIUGHMRVVJGGER-JEMLYTSRSA-N
Molecular Weight 321.468 g/mol
SMILES [C@]1(\C(=C/(C#N)C(C)(C)C)N([C@]1(c1ccccc1)[H])C)(C#N)C(C)(C)C
SPLASH splash10-00xr-0933000000-613885a7d20d51c91d6f
Source of Spectrum F-35-1967-0
Wiley ID 1321128