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N-(Cyanomethyl)-N-[(2'-nitrophenyl)thio]-phenylalaninamide
SpectraBase Compound ID 59tg8c6nM7n
InChI InChI=1S/C17H16N4O3S/c18-10-11-20(25-16-9-5-4-8-14(16)21(23)24)15(17(19)22)12-13-6-2-1-3-7-13/h1-9,15H,11-12H2,(H2,19,22)
InChIKey MRDJMHYINDAMLW-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C17H16N4O3S
Exact Mass 356.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JOvp4I2miQ
Name N-(Cyanomethyl)-N-[(2'-nitrophenyl)thio]-phenylalaninamide
Alternate Name(s) 2-{(cyanomethyl)[(2-nitrophenyl)sulfanyl]amino}-3-phenylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N4O3S
InChI InChI=1S/C17H16N4O3S/c18-10-11-20(25-16-9-5-4-8-14(16)21(23)24)15(17(19)22)12-13-6-2-1-3-7-13/h1-9,15H,11-12H2,(H2,19,22)
InChIKey MRDJMHYINDAMLW-UHFFFAOYSA-N
Molecular Weight 356.400 g/mol
SMILES NC(C(N(Sc1c(N(=O)=O)cccc1)CC#N)Cc1ccccc1)=O
SPLASH splash10-0udl-6910000000-655b3f1dfa1475730030
Source of Spectrum H-87-1313-10
Wiley ID 1563784