| SpectraBase Spectrum ID |
Al8WVX5xAxF |
| Name |
Methyl 2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1-methylcyclopropane-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.106255971 u |
| Formula |
C14H15N3O4 |
| InChI |
InChI=1S/C14H15N3O4/c1-14(11(18)21-2)8-10(14)17-13(20)16(12(19)15-17)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,19) |
| InChIKey |
MUVQWHNAKCUJEZ-UHFFFAOYSA-N |
| Molecular Weight |
289.291 g/mol |
| SMILES |
C1=C(C=CC=C1)N1C(NN(C2CC2(C)C(OC)=O)C1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803379 |
