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4-(5-Phenyl-2-pyrazolin-3-yl)tropolone

View entire compound with spectra: 1 FTIR

4-(5-Phenyl-2-pyrazolin-3-yl)tropolone
SpectraBase Compound ID KJy2ThkZ0CB
InChI InChI=1S/C16H14N2O2/c19-15-8-4-7-12(9-16(15)20)14-10-13(17-18-14)11-5-2-1-3-6-11/h1-9,13,17H,10H2,(H,19,20)
InChIKey ZZDBKSHMLLKCNG-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C16H14N2O2
Exact Mass 266.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LtULlWkK3rQ
Name 4-(5-Phenyl-2-pyrazolin-3-yl)tropolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.105527697 u
Formula C16H14N2O2
InChI InChI=1S/C16H14N2O2/c19-15-8-4-7-12(9-16(15)20)14-10-13(17-18-14)11-5-2-1-3-6-11/h1-9,13,17H,10H2,(H,19,20)
InChIKey ZZDBKSHMLLKCNG-UHFFFAOYSA-N
Molecular Weight 266.300 g/mol
SMILES C1(=CC(=CC=CC1=O)C1=NNC(C2=CC=CC=C2)C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96262