| SpectraBase Spectrum ID |
2EX1U8gohtx |
| Name |
alpha,2-Dicyano-9,10-dimethoxy-1,3,4,6,7,11B-hexahydro-2H-benzo[A]quinolizine-2-acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.168856229 u |
| Formula |
C20H23N3O4 |
| InChI |
InChI=1S/C20H23N3O4/c1-25-17-8-13-4-6-23-7-5-20(12-22,15(11-21)19(24)27-3)10-16(23)14(13)9-18(17)26-2/h8-9,15-16H,4-7,10H2,1-3H3 |
| InChIKey |
OKUURBJMOIWTET-UHFFFAOYSA-N |
| Molecular Weight |
369.421 g/mol |
| SMILES |
C=12C=C(C(=CC1CCN1CCC(CC21)(C(C(OC)=O)C#N)C#N)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.86717 |
![alpha,2-Dicyano-9,10-dimethoxy-1,3,4,6,7,11B-hexahydro-2H-benzo[A]quinolizine-2-acetic acid, methyl ester](/api/spectrum/2EX1U8gohtx/structure.png?h=300&w=458 "alpha,2-Dicyano-9,10-dimethoxy-1,3,4,6,7,11B-hexahydro-2H-benzo[A]quinolizine-2-acetic acid, methyl ester")
