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(E)-3-(4-Nitrophenyl)-2-(thiocyanomethyl)acrylnitrile
SpectraBase Compound ID G4kAAWvkE33
InChI InChI=1S/C11H7N3O2S/c12-6-10(7-17-8-13)5-9-1-3-11(4-2-9)14(15)16/h1-5H,7H2/b10-5+
InChIKey XKDIMTNKFYZYOQ-BJMVGYQFSA-N
Mol Weight 245.26 g/mol
Molecular Formula C11H7N3O2S
Exact Mass 245.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnOEfAWCps0
Name (E)-3-(4-Nitrophenyl)-2-(thiocyanomethyl)acrylnitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O2S
InChI InChI=1S/C11H7N3O2S/c12-6-10(7-17-8-13)5-9-1-3-11(4-2-9)14(15)16/h1-5H,7H2/b10-5+
InChIKey XKDIMTNKFYZYOQ-BJMVGYQFSA-N
Molecular Weight 245.256 g/mol
SMILES c1(N(=O)=O)ccc(\C=C/(C#N)CSC#N)cc1
SPLASH splash10-01q0-7900000000-f0636e8ed6de3df15c8c
Source of Spectrum F4-0-2775-2
Synonyms (2E)-2-cyano-3-(4-nitrophenyl)-2-propenyl thiocyanate
Wiley ID 1620333