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2-(4-Oxo-4,5-dihydrothiazol-2-yl)-3-phenylbut-2-enenitrile
SpectraBase Compound ID E1eTbeIONEj
InChI InChI=1S/C13H10N2OS/c1-9(10-5-3-2-4-6-10)11(7-14)13-15-12(16)8-17-13/h2-6H,8H2,1H3
InChIKey DMTBCGZZUDGVIC-UHFFFAOYSA-N
Mol Weight 242.3 g/mol
Molecular Formula C13H10N2OS
Exact Mass 242.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK5430hg19A
Name 2-(4-Oxo-4,5-dihydrothiazol-2-yl)-3-phenylbut-2-enenitrile
Appearance Dark brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2OS
InChI InChI=1S/C13H10N2OS/c1-9(10-5-3-2-4-6-10)11(7-14)13-15-12(16)8-17-13/h2-6H,8H2,1H3
InChIKey DMTBCGZZUDGVIC-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 A or Shimadzu QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3870
Molecular Weight 242.296 g/mol
SMILES C1(=O)N=C(SC1)C(C#N)=C(C)c1ccccc1
SPLASH splash10-0udi-9000000000-971e22a6297cf95ec894
Source of Spectrum Y-57-1336-2a
Wiley ID 1860083