| SpectraBase Spectrum ID |
6rZwlhlWKwM |
| Name |
4-Tert-butoxy-1,2-pyrrolidinedicarboxylic acid, 1-benzyl ester, compound with dicyclohexylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.340672584 u |
| Formula |
C29H46N2O5 |
| InChI |
InChI=1S/C17H23NO5.C12H23N/c1-17(2,3)23-13-9-14(15(19)20)18(10-13)16(21)22-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20);11-13H,1-10H2 |
| InChIKey |
XGEBASGHXOJNSC-UHFFFAOYSA-N |
| SMILES |
OC(C1N(CC(C1)OC(C)(C)C)C(OCC=1C=CC=CC1)=O)=O.N(C1CCCCC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.912658 |
