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5-oxo-3-phenyl-2-pyrazoline-1-thiocarboxamide
SpectraBase Compound ID 3yHH1OWmX4U
InChI InChI=1S/C10H9N3OS/c11-10(15)13-9(14)6-8(12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)
InChIKey LQRTZZUNSKIADN-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C10H9N3OS
Exact Mass 219.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55j3pzwo2Il
Name 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-5-oxo-3-phenyl-
Alternate Name(s) 5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide 5-keto-3-phenyl-2-pyrazoline-1-carbothioamide 5-Oxidanylidene-3-phenyl-4H-pyrazole-1-carbothioamide 5-Oxo-3-phenyl-4H-pyrazole-1-carbothioamide
CAS Registry Number 58197-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3OS
InChI InChI=1S/C10H9N3OS/c11-10(15)13-9(14)6-8(12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)
InChIKey LQRTZZUNSKIADN-UHFFFAOYSA-N
Molecular Weight 219.262 g/mol
SMILES NC(=S)N1C(CC(=N1)c1ccccc1)=O
SPLASH splash10-0ik9-6920000000-5afc69dce527f040e8bc
Wiley ID 1455369