| SpectraBase Spectrum ID |
8Hs7FLwXVSN |
| Name |
T-Butyl 1-[benzyl(1'-phenylethyl)amino]-3-[(T-butoxycarbonyl)methyl]-2,3,4,5,6,7-hexahydro-1H-2-indene-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.350508993 u |
| Formula |
C35H47NO4 |
| InChI |
InChI=1S/C35H47NO4/c1-24(26-18-12-9-13-19-26)36(23-25-16-10-8-11-17-25)32-28-21-15-14-20-27(28)29(22-30(37)39-34(2,3)4)31(32)33(38)40-35(5,6)7/h8-13,16-19,24,29,31-32H,14-15,20-23H2,1-7H3 |
| InChIKey |
FFMQZXUEMIQOQM-UHFFFAOYSA-N |
| Molecular Weight |
545.764 g/mol |
| SMILES |
C1(C(C=2CCCCC2C1CC(OC(C)(C)C)=O)N(C(C=1C=CC=CC1)C)CC1=CC=CC=C1)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954779 |
![t-Butyl 1-[benzyl(1'-phenylethyl)amino]-3-[(t-butoxycarbonyl)methyl]-2,3,4,5,6,7-hexahydro-1H-2-indene-2-carboxylate](/api/spectrum/8Hs7FLwXVSN/structure.png?h=300&w=458 "t-Butyl 1-[benzyl(1'-phenylethyl)amino]-3-[(t-butoxycarbonyl)methyl]-2,3,4,5,6,7-hexahydro-1H-2-indene-2-carboxylate")
