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2-Nitro-5-(1-phenyl-1-cyanoethyl)-1,3-thiazole
SpectraBase Compound ID yuklip8OL0
InChI InChI=1S/C12H9N3O2S/c1-12(8-13,9-5-3-2-4-6-9)10-7-14-11(18-10)15(16)17/h2-7H,1H3
InChIKey QSQNXVWNHHFLKO-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaTjFmzgEhj
Name 2-Nitro-5-(1-phenyl-1-cyanoethyl)-1,3-thiazole
Alternate Name(s) 2-(2-nitro-1,3-thiazol-5-yl)-2-phenylpropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S
InChI InChI=1S/C12H9N3O2S/c1-12(8-13,9-5-3-2-4-6-9)10-7-14-11(18-10)15(16)17/h2-7H,1H3
InChIKey QSQNXVWNHHFLKO-UHFFFAOYSA-N
Molecular Weight 259.283 g/mol
SMILES c1(N(=O)=O)sc(C(C#N)(c2ccccc2)C)cn1
SPLASH splash10-0006-0490000000-4f489e698325451ff19d
Source of Spectrum SO-0-1632-11
Wiley ID 876042