| SpectraBase Spectrum ID |
7975WgIECYh |
| Name |
2,3,4,5-Pyrrolidinetetracarboxylic acid, 2,5-dimethyl-, 3,4-dimethyl ester, (2.alpha.,3.alpha.,4.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.095416503 u |
| Formula |
C12H17NO8 |
| InChI |
InChI=1S/C12H17NO8/c1-11(9(16)17)5(7(14)20-3)6(8(15)21-4)12(2,13-11)10(18)19/h5-6,13H,1-4H3,(H,16,17)(H,18,19)/t5-,6-,11-,12+/m0/s1 |
| InChIKey |
NZFCPSSHBIFERS-MTAJIIJVSA-N |
| Molecular Weight |
303.267 g/mol |
| SMILES |
[C@@]1([C@]([C@@](C(=O)O)(C)N[C@@]1(C(=O)O)C)(C(=O)OC)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914882 |
