| SpectraBase Spectrum ID |
7HtUdAcJcBG |
| Name |
2,3-Dihydro-5-hydroxy-1-methyl-2-oxo-1H-1-benzazepine-4-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.084457899 u |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-14-10-6-4-3-5-8(10)12(16)9(7-11(14)15)13(17)18-2/h3-6,16H,7H2,1-2H3 |
| InChIKey |
YBMMYTBKNCUKPI-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C1=CC=CC2=C1C(=C(C(=O)OC)CC(=O)N2C)O |
| Spectrum/Structure Validation Score (Raman) |
0.920458 |
