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Benzhydrazide, N2-[2,2,2-trifluoro-1-(4,5-dihydro-3-methyl-5-oxo-1-phenylpyrazol-4-yl)ethylideno]-
SpectraBase Compound ID DTCdYtvc1PD
InChI InChI=1S/C19H15F3N4O2/c1-12-15(18(28)26(25-12)14-10-6-3-7-11-14)16(19(20,21)22)23-24-17(27)13-8-4-2-5-9-13/h2-11,15H,1H3,(H,24,27)/b23-16+
InChIKey XSOUONFNVTUGCC-XQNSMLJCSA-N
Mol Weight 388.35 g/mol
Molecular Formula C19H15F3N4O2
Exact Mass 388.11471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HxncX3hRCYB
Name Benzhydrazide, N2-[2,2,2-trifluoro-1-(4,5-dihydro-3-methyl-5-oxo-1-phenylpyrazol-4-yl)ethylideno]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.114710226 u
Formula C19H15F3N4O2
InChI InChI=1S/C19H15F3N4O2/c1-12-15(18(28)26(25-12)14-10-6-3-7-11-14)16(19(20,21)22)23-24-17(27)13-8-4-2-5-9-13/h2-11,15H,1H3,(H,24,27)/b23-16+
InChIKey XSOUONFNVTUGCC-XQNSMLJCSA-N
Molecular Weight 388.350 g/mol
SMILES C(N\N=C\(C(F)(F)F)C1C(C)=NN(C1=O)C1=CC=CC=C1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924786