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3-Methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one

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

3-Methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one
SpectraBase Compound ID F1hrZpYdv63
InChI InChI=1S/C10H9N3O/c1-7-9(10(14)13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKey MJBCEJIFQTTZLV-UHFFFAOYSA-N
Mol Weight 187.2 g/mol
Molecular Formula C10H9N3O
Exact Mass 187.074562 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DQRtpQbF48
Name 3-Methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.074561921 u
Formula C10H9N3O
InChI InChI=1S/C10H9N3O/c1-7-9(10(14)13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKey MJBCEJIFQTTZLV-UHFFFAOYSA-N
Molecular Weight 187.202 g/mol
SMILES C1(\C(C(=NN1)C)=N\C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953788