| SpectraBase Spectrum ID |
FpLrcKdlYIH |
| Name |
3-Benzyl-4-oxo-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.072513490 u |
| Formula |
C14H14N2O3S |
| InChI |
InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(20)16(12(11)17)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,20) |
| InChIKey |
ZKULOCINMZKNTG-UHFFFAOYSA-N |
| SMILES |
N1C(N(C(C(=C1)C(=O)OCC)=O)CC=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.911174 |
