| SpectraBase Spectrum ID |
CaJcpCD6cWo |
| Name |
(S)-(-)-2-amino-1,1-di(2'-benzyloxy-5'-tert-butylphenyl)-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
551.339944310 u |
| Formula |
C37H45NO3 |
| InChI |
InChI=1S/C37H45NO3/c1-26(38)37(39,31-22-29(35(2,3)4)18-20-33(31)40-24-27-14-10-8-11-15-27)32-23-30(36(5,6)7)19-21-34(32)41-25-28-16-12-9-13-17-28/h8-23,26,39H,24-25,38H2,1-7H3/t26-/m0/s1 |
| InChIKey |
NKDYJEDFSSGGFK-SANMLTNESA-N |
| Molecular Weight |
551.771 g/mol |
| SMILES |
C1(C(C2=CC(C(C)(C)C)=CC=C2OCC2=CC=CC=C2)([C@@](N)(C)[H])O)=CC(C(C)(C)C)=CC=C1OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952257 |
