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6-Methyl-1,4-diphenyl-1,2,4,5-tetrahydro-indazol-3-one
SpectraBase Compound ID Bk4GHEVu1pm
InChI InChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23)
InChIKey PEIBUABCSDDMFA-UHFFFAOYSA-N
Mol Weight 302.38 g/mol
Molecular Formula C20H18N2O
Exact Mass 302.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHJjjMAWr1M
Name 6-Methyl-1,4-diphenyl-1,2,4,5-tetrahydro-indazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.141913207 u
Formula C20H18N2O
InChI InChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23)
InChIKey PEIBUABCSDDMFA-UHFFFAOYSA-N
SMILES C12=C(N(C3=CC=CC=C3)NC1=O)C=C(CC2C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922992