| SpectraBase Spectrum ID |
5CJ5Bb6Cd1L |
| Name |
2-Azabicyclo[4.1.0]heptane-2,7-dicarboxylic acid, 6-ethyl-, 7-ethyl 2-methyl ester, (1.alpha.,6.alpha.,7.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.147058156 u |
| Formula |
C13H21NO4 |
| InChI |
InChI=1S/C13H21NO4/c1-4-13-7-6-8-14(12(16)17-3)10(13)9(13)11(15)18-5-2/h9-10H,4-8H2,1-3H3/t9-,10-,13+/m1/s1 |
| InChIKey |
OHAAYOUXBVIHSM-BREBYQMCSA-N |
| Molecular Weight |
255.314 g/mol |
| SMILES |
[C@@]1([C@@]2(CCCN([C@]12[H])C(=O)OC)CC)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838231 |
![2-Azabicyclo[4.1.0]heptane-2,7-dicarboxylic acid, 6-ethyl-, 7-ethyl 2-methyl ester, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-](/api/spectrum/5CJ5Bb6Cd1L/structure.png?h=300&w=458 "2-Azabicyclo[4.1.0]heptane-2,7-dicarboxylic acid, 6-ethyl-, 7-ethyl 2-methyl ester, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-")
