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[3-(4-Nitrobenzyl)-2-thioxo-2,3-dihydrothiazol-4-yl]-acetonitrile
SpectraBase Compound ID 2GqpwhyQiX5
InChI InChI=1S/C12H9N3O2S2/c13-6-5-11-8-19-12(18)14(11)7-9-1-3-10(4-2-9)15(16)17/h1-4,8H,5,7H2
InChIKey IMOCSPRXDYGLCB-UHFFFAOYSA-N
Mol Weight 291.34 g/mol
Molecular Formula C12H9N3O2S2
Exact Mass 291.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYIcqgyxNur
Name [3-(4-Nitrobenzyl)-2-thioxo-2,3-dihydrothiazol-4-yl]-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S2
InChI InChI=1S/C12H9N3O2S2/c13-6-5-11-8-19-12(18)14(11)7-9-1-3-10(4-2-9)15(16)17/h1-4,8H,5,7H2
InChIKey IMOCSPRXDYGLCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 291.343 g/mol
SMILES C(N1C(SC=C1CC#N)=S)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0006-4490000000-76ef917996ee69ad80b0
Source of Spectrum JF-342-367-11a
Synonyms 2-(3-(4-nitrobenzyl)-2-thioxo-2,3-dihydrothiazol-4-yl)acetonitrile
Wiley ID 1766930