| SpectraBase Spectrum ID |
9YK7Ca9f0hh |
| Name |
Ethyl 2-benzylamino-3-cyano-4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.158291545 u |
| Formula |
C20H21N3O3 |
| InChI |
InChI=1S/C20H21N3O3/c1-2-26-20(25)17-16-10-6-7-11-23(16)19(24)15(12-21)18(17)22-13-14-8-4-3-5-9-14/h3-5,8-9,22H,2,6-7,10-11,13H2,1H3 |
| InChIKey |
LHAFABSOWJNLGG-UHFFFAOYSA-N |
| Molecular Weight |
351.406 g/mol |
| SMILES |
C1(=C(C(=C2N(C1=O)CCCC2)C(=O)OCC)NCC1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863903 |
