| SpectraBase Spectrum ID |
KyDkhPmXxgl |
| Name |
L-5-oxo-1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, dicyclohexylamine salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.262422262 u |
| Formula |
C25H36N2O5 |
| InChI |
InChI=1S/C13H13NO5.C12H23N/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,10H,6-8H2,(H,16,17);11-13H,1-10H2 |
| InChIKey |
YZBYZSRZSLSPSI-UHFFFAOYSA-N |
| Molecular Weight |
444.572 g/mol |
| SMILES |
OC(C1N(C(OCC2=CC=CC=C2)=O)C(CC1)=O)=O.N(C1CCCCC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.71186 |
