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4-Amino-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one

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

4-Amino-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
SpectraBase Compound ID 7sQDNvQNexT
InChI InChI=1S/C10H11N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3
InChIKey IOTZAKSXYYYPKL-UHFFFAOYSA-N
Mol Weight 189.22 g/mol
Molecular Formula C10H11N3O
Exact Mass 189.090212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 96PgEa3YpSQ
Name 4-Amino-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.090211985 u
Formula C10H11N3O
InChI InChI=1S/C10H11N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3
InChIKey IOTZAKSXYYYPKL-UHFFFAOYSA-N
Molecular Weight 189.218 g/mol
SMILES C1=CC=C(N2C(C(N)C(=N2)C)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889253