SpectraBase Spectrum ID |
5SN97Foio6o |
Name |
1-Allyloxymethyl-5-phenyl-6-azauracil |
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/c1-2-8-19-9-16-13(18)14-12(17)11(15-16)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17,18) |
InChIKey |
PQSNXQCMOVDNHA-UHFFFAOYSA-N |
Molecular Weight |
259.265 g/mol |
SMILES |
C1(=O)NC(=O)C(=NN1COCC=C)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901681 |