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3H-pyrazol-3-one, 5-amino-2,4-dihydro-4-(4-methylphenoxy)-2-phenyl-

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

3H-pyrazol-3-one, 5-amino-2,4-dihydro-4-(4-methylphenoxy)-2-phenyl-
SpectraBase Compound ID ExXJu5ZDF1x
InChI InChI=1S/C16H15N3O2/c1-11-7-9-13(10-8-11)21-14-15(17)18-19(16(14)20)12-5-3-2-4-6-12/h2-10,14H,1H3,(H2,17,18)
InChIKey RQGCBLNCCBMIAR-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6FKyoCTL22Z
Name 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-4-(4-methylphenoxy)-2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.116426733 u
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-11-7-9-13(10-8-11)21-14-15(17)18-19(16(14)20)12-5-3-2-4-6-12/h2-10,14H,1H3,(H2,17,18)
InChIKey RQGCBLNCCBMIAR-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)OC1C(=NN(C1=O)C1=CC=CC=C1)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940562