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6-Amino-1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyrimidinone

View entire compound with spectra: 1 NMR, and 1 FTIR

6-Amino-1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyrimidinone
SpectraBase Compound ID 2EM9fidUiaO
InChI InChI=1S/C11H10ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17)
InChIKey MQOJPYCQCAMMKF-UHFFFAOYSA-N
Mol Weight 251.67 g/mol
Molecular Formula C11H10ClN3O2
Exact Mass 251.046154 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID yOy7lvrK8x
Name 6-Amino-1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.046154272 u
Formula C11H10ClN3O2
InChI InChI=1S/C11H10ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17)
InChIKey MQOJPYCQCAMMKF-UHFFFAOYSA-N
Molecular Weight 251.673 g/mol
SMILES C(N1C(N)=CC(NC1=O)=O)C1=C(Cl)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965109