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4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SpectraBase Compound ID JbRGKZCqxsN
InChI InChI=1S/C11H6F3N3OS/c12-11(13,14)10(15-6-19)9(18)16-8(17-10)7-4-2-1-3-5-7/h1-5H,(H,16,17,18)
InChIKey IXZWTYRRSXNMBM-UHFFFAOYSA-N
Mol Weight 285.24 g/mol
Molecular Formula C11H6F3N3OS
Exact Mass 285.018367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVrbsfJmEJ3
Name 4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6F3N3OS
InChI InChI=1S/C11H6F3N3OS/c12-11(13,14)10(15-6-19)9(18)16-8(17-10)7-4-2-1-3-5-7/h1-5H,(H,16,17,18)
InChIKey IXZWTYRRSXNMBM-UHFFFAOYSA-N
Molecular Weight 285.244 g/mol
SMILES N1C(=NC(C1=O)(C(F)(F)F)N=C=S)c1ccccc1
SPLASH splash10-0zi0-4940000000-19332e1c3f8820d862a7
Source of Spectrum AH-124-904-6
Synonyms 5-isothiocyanato-2-phenyl-5-(trifluoromethyl)-2-imidazolin-4-one
Wiley ID 1288692