| SpectraBase Spectrum ID |
AfJeLvGdoyf |
| Name |
2-Azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylic acid, 2-(1-methoxy-2-phenylethyl)-3-oxo-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.152537459 u |
| Formula |
C20H23NO6 |
| InChI |
InChI=1S/C20H23NO6/c1-25-15(11-12-7-5-4-6-8-12)21-14-10-9-13(18(21)22)16(19(23)26-2)17(14)20(24)27-3/h4-10,13-17H,11H2,1-3H3 |
| InChIKey |
VOIBSOAKQMUHPX-UHFFFAOYSA-N |
| Molecular Weight |
373.405 g/mol |
| SMILES |
C1(N(C2C=CC1C(C2C(=O)OC)C(=O)OC)C(CC=1C=CC=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97994 |
![2-Azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylic acid, 2-(1-methoxy-2-phenylethyl)-3-oxo-, dimethyl ester](/api/spectrum/AfJeLvGdoyf/structure.png?h=300&w=458 "2-Azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylic acid, 2-(1-methoxy-2-phenylethyl)-3-oxo-, dimethyl ester")
