| SpectraBase Spectrum ID |
L44KoX4B3zr |
| Name |
Methyl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.089543280 u |
| Formula |
C11H13NO3 |
| InChI |
InChI=1S/C11H13NO3/c1-15-11(14)8-6-7-4-2-3-5-9(7)12-10(8)13/h6H,2-5H2,1H3,(H,12,13) |
| InChIKey |
XBXOQUNYOXZFJT-UHFFFAOYSA-N |
| Molecular Weight |
207.229 g/mol |
| SMILES |
C1CCC2=C(C1)C=C(C(N2)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815693 |
