| SpectraBase Spectrum ID |
8ZZ8jwNXLQk |
| Name |
(+-)-1-(4-benzyloxymethyl-cyclopent-1-enyl)-1H-pyrimidin-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.131742445 u |
| Formula |
C17H18N2O3 |
| InChI |
InChI=1S/C17H18N2O3/c20-16-8-9-19(17(21)18-16)15-7-6-14(10-15)12-22-11-13-4-2-1-3-5-13/h1-5,7-9,14H,6,10-12H2,(H,18,20,21) |
| InChIKey |
GAVSTXJEMDNYIT-UHFFFAOYSA-N |
| Molecular Weight |
298.342 g/mol |
| SMILES |
C1(N(C2=CCC(C2)COCC=2C=CC=CC2)C=CC(N1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939838 |
