John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3hHIKI9Uz1d SpectraBase Spectrum ID=2B4yK2SCzGl

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1-(3-TRIFLUOROMETHYLBENZYLIDENE)-4-HYDROXYSEMICARBAZIDE
SpectraBase Compound ID 3hHIKI9Uz1d
InChI InChI=1S/C9H8F3N3O2/c10-9(11,12)7-3-1-2-6(4-7)5-13-14-8(16)15-17/h1-5,17H,(H2,14,15,16)/b13-5+
InChIKey QCPNDGQZBXRPGR-WLRTZDKTSA-N
Mol Weight 247.18 g/mol
Molecular Formula C9H8F3N3O2
Exact Mass 247.056861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2B4yK2SCzGl
Name 1-(3-TRIFLUOROMETHYLBENZYLIDENE)-4-HYDROXYSEMICARBAZIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7F3N3O2
InChI InChI=1S/C9H8F3N3O2/c10-9(11,12)7-3-1-2-6(4-7)5-13-14-8(16)15-17/h1-5,17H,(H2,14,15,16)/b13-5+
InChIKey QCPNDGQZBXRPGR-WLRTZDKTSA-N
Literature Reference Author S.REN,R.WANG,K.KOMATSU,P.BONAZ-KRAUSE,Y.ZYRIANOV,C.E.M.KENNA ,C.CSIPKE,Z.A.TOKES,
Literature Reference Citation J.MED.CHEM.,45,410(2002)
Literature Reference DOI 10.1021/jm010252q
Molecular Weight 246.169 g/mol
Sample ID 64192
Solvent Unknown
SpectraBase Batch ID 55do4ONappK