| SpectraBase Spectrum ID |
ELnMU61hb8n |
| Name |
4-Benzo[1,3]dioxol-5-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.090271554 u |
| Formula |
C14H14N2O5 |
| InChI |
InChI=1S/C14H14N2O5/c1-7-11(13(17)19-2)12(16-14(18)15-7)8-3-4-9-10(5-8)21-6-20-9/h3-5,12H,6H2,1-2H3,(H2,15,16,18) |
| InChIKey |
LTZZPTSSIYQHEK-UHFFFAOYSA-N |
| Molecular Weight |
290.275 g/mol |
| SMILES |
C1(C2=CC3=C(OCO3)C=C2)C(=C(NC(N1)=O)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840746 |
![4-Benzo[1,3]dioxol-5-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester](/api/spectrum/ELnMU61hb8n/structure.png?h=300&w=458 "4-Benzo[1,3]dioxol-5-yl-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester")
