| SpectraBase Spectrum ID |
Kg0snK8S63v |
| Name |
(S)-4-Benzyl-4-[N-(tert-butoxycarbonyl)-N-(2-iodobenzyl)amino]but-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.116474144 u |
| Formula |
C23H28INO2 |
| InChI |
InChI=1S/C23H28INO2/c1-5-11-20(16-18-12-7-6-8-13-18)25(22(26)27-23(2,3)4)17-19-14-9-10-15-21(19)24/h5-15,20H,16-17H2,1-4H3/b11-5+/t20-/m1/s1 |
| InChIKey |
HZOWNOSXIIPXSO-XGHQVWIYSA-N |
| Molecular Weight |
477.386 g/mol |
| SMILES |
C\C=C\[C@@](N(CC=1C(=CC=CC1)I)C(=O)OC(C)(C)C)(CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889367 |
![(S)-4-Benzyl-4-[N-(tert-butoxycarbonyl)-N-(2-iodobenzyl)amino]but-2-ene](/api/spectrum/Kg0snK8S63v/structure.png?h=300&w=458 "(S)-4-Benzyl-4-[N-(tert-butoxycarbonyl)-N-(2-iodobenzyl)amino]but-2-ene")
