| SpectraBase Spectrum ID |
6eebcJJScJb |
| Name |
Pyrrolidine, 4-(pyrrolidinocarbonylbenzyl)triphenylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.277678405 u |
| Formula |
C36H36N2O2 |
| InChI |
InChI=1S/C36H36N2O2/c39-34(37-24-10-11-25-37)33(28-14-4-1-5-15-28)29-20-22-32(23-21-29)36(30-16-6-2-7-17-30,31-18-8-3-9-19-31)35(40)38-26-12-13-27-38/h1-9,14-23,33H,10-13,24-27H2 |
| InChIKey |
SRKQMKKMXLEGPO-UHFFFAOYSA-N |
| Molecular Weight |
528.696 g/mol |
| SMILES |
C1=CC=CC=C1C(C(=O)N1CCCC1)(C1=CC=C(C(C=2C=CC=CC2)C(=O)N2CCCC2)C=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900168 |
