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Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-trifluoromethyl-4-(1-hydroxyethylideno)-
SpectraBase Compound ID DCrUMEClX7i
InChI InChI=1S/C13H8F3N3O2S/c1-6(20)9-10(13(14,15)16)18-19(11(9)21)12-17-7-4-2-3-5-8(7)22-12/h2-5,20H,1H3/b9-6-
InChIKey TULQRBYDBFSSAI-TWGQIWQCSA-N
Mol Weight 327.28 g/mol
Molecular Formula C13H8F3N3O2S
Exact Mass 327.028932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BImnjyeClgC
Name Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-trifluoromethyl-4-(1-hydroxyethylideno)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F3N3O2S
InChI InChI=1S/C13H8F3N3O2S/c1-6(20)9-10(13(14,15)16)18-19(11(9)21)12-17-7-4-2-3-5-8(7)22-12/h2-5,20H,1H3/b9-6-
InChIKey TULQRBYDBFSSAI-TWGQIWQCSA-N
Molecular Weight 327.281 g/mol
SMILES O\C(=C\1C(=NN(C1=O)c1sc2c(n1)cccc2)C(F)(F)F)C
SPLASH splash10-03dl-9607000000-fa853216d11c45264d31
Source of Spectrum AD-0-2532-0
Synonyms (4Z)-2-(1,3-Benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Wiley ID 1427988