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3-Azetidinecarbonitrile, 2-[4-(dimethylamino)phenyl]-3-(1,1-dimethylethyl)-1-methyl-4-thioxo-
SpectraBase Compound ID 31pbM8jL3Nx
InChI InChI=1S/C17H23N3S/c1-16(2,3)17(11-18)14(20(6)15(17)21)12-7-9-13(10-8-12)19(4)5/h7-10,14H,1-6H3
InChIKey AVOGWFFRENZYLM-UHFFFAOYSA-N
Mol Weight 301.45 g/mol
Molecular Formula C17H23N3S
Exact Mass 301.161269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O1THdxkDT9
Name 3-Azetidinecarbonitrile, 2-[4-(dimethylamino)phenyl]-3-(1,1-dimethylethyl)-1-methyl-4-thioxo-
CAS Registry Number 91529-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3S
InChI InChI=1S/C17H23N3S/c1-16(2,3)17(11-18)14(20(6)15(17)21)12-7-9-13(10-8-12)19(4)5/h7-10,14H,1-6H3
InChIKey AVOGWFFRENZYLM-UHFFFAOYSA-N
Molecular Weight 301.452 g/mol
SMILES C1(C(=S)N(C1c1ccc(cc1)N(C)C)C)(C#N)C(C)(C)C
SPLASH splash10-014i-0902000000-99323d6c3115a619ab77
Source of Spectrum K-117-2220-4
Synonyms 3-tert-Butyl-2-[4-(dimethylamino)phenyl]-1-methyl-4-thioxo-3-azetidinecarbonitrile
Wiley ID 1303902