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t-Butyl 2-cyano-2-{[(ethylthio)methylidene]amino}-3-phenylpropanoate
SpectraBase Compound ID Ae85UJsgaGl
InChI InChI=1S/C17H22N2O2S/c1-5-22-13-19-17(12-18,15(20)21-16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3/b19-13+
InChIKey LFVMQILSMXPLPI-CPNJWEJPSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t5VV4hTY8
Name t-Butyl 2-cyano-2-{[(ethylthio)methylidene]amino}-3-phenylpropanoate
Alternate Name(s) tert-Butyl 2-cyano-2-{[(E)-(ethylsulfanyl)methylidene]amino}-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2S
InChI InChI=1S/C17H22N2O2S/c1-5-22-13-19-17(12-18,15(20)21-16(2,3)4)11-14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3/b19-13+
InChIKey LFVMQILSMXPLPI-CPNJWEJPSA-N
Molecular Weight 318.435 g/mol
SMILES C(C(OC(C)(C)C)=O)(C#N)(\N=C\SCC)Cc1ccccc1
SPLASH splash10-0a4l-9000000000-42386cd7835feb12fdfe
Source of Spectrum H-82-915-6
Wiley ID 815473