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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(phenylmethylene)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(phenylmethylene)-
SpectraBase Compound ID 3704TjLGhQB
InChI InChI=1S/C11H10N2O/c1-8-10(11(14)13-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)/b10-7+
InChIKey QQUIQTITKVQXSG-JXMROGBWSA-N
Mol Weight 186.21 g/mol
Molecular Formula C11H10N2O
Exact Mass 186.079313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E27MMOZfeiN
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(phenylmethylene)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.079312949 u
Formula C11H10N2O
InChI InChI=1S/C11H10N2O/c1-8-10(11(14)13-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)/b10-7+
InChIKey QQUIQTITKVQXSG-JXMROGBWSA-N
Molecular Weight 186.214 g/mol
SMILES N1C(\C(C(=N1)C)=C/c1ccccc1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934394