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5-Methyl-2-amino-benzophenone 4-phenylthiosemicarbazone

View entire compound with spectra: 1 FTIR

5-Methyl-2-amino-benzophenone 4-phenylthiosemicarbazone
SpectraBase Compound ID GDrYdK47nM0
InChI InChI=1S/C21H20N4S/c1-15-12-13-19(22)18(14-15)20(16-8-4-2-5-9-16)24-25-21(26)23-17-10-6-3-7-11-17/h2-14H,22H2,1H3,(H2,23,25,26)/b24-20+
InChIKey ALIQHIUDIGISCC-HIXSDJFHSA-N
Mol Weight 360.48 g/mol
Molecular Formula C21H20N4S
Exact Mass 360.140868 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 45Qig5peFS7
Name 5-Methyl-2-amino-benzophenone 4-phenylthiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.140867834 u
Formula C21H20N4S
InChI InChI=1S/C21H20N4S/c1-15-12-13-19(22)18(14-15)20(16-8-4-2-5-9-16)24-25-21(26)23-17-10-6-3-7-11-17/h2-14H,22H2,1H3,(H2,23,25,26)/b24-20+
InChIKey ALIQHIUDIGISCC-HIXSDJFHSA-N
Molecular Weight 360.479 g/mol
SMILES C1(\C(=N\NC(NC2=CC=CC=C2)=S)C2=CC=CC=C2)=C(C=CC(=C1)C)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942272