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2-N-methylanilino-3-phenylthiopentanenitrile
SpectraBase Compound ID GYcTkHFCiI5
InChI InChI=1S/C18H20N2S/c1-3-18(21-16-12-8-5-9-13-16)17(14-19)20(2)15-10-6-4-7-11-15/h4-13,17-18H,3H2,1-2H3
InChIKey XDKAJTKMLUOOBR-UHFFFAOYSA-N
Mol Weight 296.43 g/mol
Molecular Formula C18H20N2S
Exact Mass 296.13472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZjwCjgHj4R
Name 2-N-methylanilino-3-phenylthiopentanenitrile
CAS Registry Number 117909-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2S
InChI InChI=1S/C18H20N2S/c1-3-18(21-16-12-8-5-9-13-16)17(14-19)20(2)15-10-6-4-7-11-15/h4-13,17-18H,3H2,1-2H3
InChIKey XDKAJTKMLUOOBR-UHFFFAOYSA-N
Molecular Weight 296.432 g/mol
SMILES C(N(c1ccccc1)C)(C#N)C(Sc1ccccc1)CC
SPLASH splash10-006t-1900000000-eb2aa7eb4d70fb7a4fd3
Source of Spectrum KC-1988-1947-11
Synonyms 2-[methyl(phenyl)amino]-3-(phenylsulfanyl)pentanenitrile
Wiley ID 1299388