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5-Benzylamino-1-methyl-5-phenylbarbituric-acid

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

5-Benzylamino-1-methyl-5-phenylbarbituric-acid
SpectraBase Compound ID 92NDpeuW45
InChI InChI=1S/C18H17N3O3/c1-21-16(23)18(15(22)20-17(21)24,14-10-6-3-7-11-14)19-12-13-8-4-2-5-9-13/h2-11,19H,12H2,1H3,(H,20,22,24)
InChIKey BJAHFJPKASUUOS-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K78GrYkZdlJ
Name 5-Benzylamino-1-methyl-5-phenylbarbituric-acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.126991416 u
Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-21-16(23)18(15(22)20-17(21)24,14-10-6-3-7-11-14)19-12-13-8-4-2-5-9-13/h2-11,19H,12H2,1H3,(H,20,22,24)
InChIKey BJAHFJPKASUUOS-UHFFFAOYSA-N
Molecular Weight 323.352 g/mol
SMILES C1(=O)NC(=O)C(C(=O)N1C)(C1=CC=CC=C1)NCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907561