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4N-(1-Carboxy-2-phenylethyl)-4-amino-1H-2-oxopyrimidine

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

4N-(1-Carboxy-2-phenylethyl)-4-amino-1H-2-oxopyrimidine
SpectraBase Compound ID 2IH3KVsv087
InChI InChI=1S/C13H13N3O3/c17-12(18)10(8-9-4-2-1-3-5-9)15-11-6-7-14-13(19)16-11/h1-7,10H,8H2,(H,17,18)(H2,14,15,16,19)
InChIKey KLXJESSGNFUZGM-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zF0nyr1ih8
Name 4N-(1-Carboxy-2-phenylethyl)-4-amino-1H-2-oxopyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.095691288 u
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c17-12(18)10(8-9-4-2-1-3-5-9)15-11-6-7-14-13(19)16-11/h1-7,10H,8H2,(H,17,18)(H2,14,15,16,19)
InChIKey KLXJESSGNFUZGM-UHFFFAOYSA-N
Molecular Weight 259.265 g/mol
SMILES C(O)(=O)C(NC=1C=CNC(=O)N1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80551