| SpectraBase Spectrum ID |
JayjT0NTEgA |
| Name |
Methyl 1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.084792251 u |
| Formula |
C11H12N2O3 |
| InChI |
InChI=1S/C11H12N2O3/c1-12-8-5-4-7(10(14)16-3)6-9(8)13(2)11(12)15/h4-6H,1-3H3 |
| InChIKey |
NNLGJNPQCFCMJG-UHFFFAOYSA-N |
| Molecular Weight |
220.228 g/mol |
| SMILES |
C1=C2C(=CC(=C1)C(OC)=O)N(C)C(N2C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927594 |
