| SpectraBase Spectrum ID |
Dqhiq21QKV6 |
| Name |
4-Methyl-3-oxo-3,5,6,7-tetrahydro-2H-[2]pyrindine-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-3-16-12(15)10-9-6-4-5-8(9)7(2)11(14)13-10/h3-6H2,1-2H3,(H,13,14) |
| InChIKey |
LXCLIGJKFNLSQF-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C=1(NC(=O)C(=C2C1CCC2)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899276 |
![4-Methyl-3-oxo-3,5,6,7-tetrahydro-2H-[2]pyrindine-1-carboxylic acid ethyl ester](/api/spectrum/Dqhiq21QKV6/structure.png?h=300&w=458 "4-Methyl-3-oxo-3,5,6,7-tetrahydro-2H-[2]pyrindine-1-carboxylic acid ethyl ester")
