| SpectraBase Spectrum ID |
3decy0RJMkt |
| Name |
6,7-Diazabicyclo[3.2.2]non-8-ene-6,7-dicarboxylic acid, 2,2,4-triethoxy-, diethyl ester, (1.alpha.,4.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.220951371 u |
| Formula |
C19H32N2O7 |
| InChI |
InChI=1S/C19H32N2O7/c1-6-24-15-13-19(27-9-4,28-10-5)16-12-11-14(15)20(17(22)25-7-2)21(16)18(23)26-8-3/h11-12,14-16H,6-10,13H2,1-5H3/t14-,15+,16+/m1/s1 |
| InChIKey |
UJKDJMADDNAQEM-PMPSAXMXSA-N |
| Molecular Weight |
400.472 g/mol |
| SMILES |
[C@]12(N(N([C@](C(C[C@@]2(OCC)[H])(OCC)OCC)(C=C1)[H])C(=O)OCC)C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841784 |
![6,7-Diazabicyclo[3.2.2]non-8-ene-6,7-dicarboxylic acid, 2,2,4-triethoxy-, diethyl ester, (1.alpha.,4.alpha.,5.alpha.)-](/api/spectrum/3decy0RJMkt/structure.png?h=300&w=458 "6,7-Diazabicyclo[3.2.2]non-8-ene-6,7-dicarboxylic acid, 2,2,4-triethoxy-, diethyl ester, (1.alpha.,4.alpha.,5.alpha.)-")
