| SpectraBase Spectrum ID |
9dinHhCdNlN |
| Name |
Methyl threo-5-[(benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.181729588 u |
| Formula |
C23H29NO4S |
| InChI |
InChI=1S/C23H29NO4S/c1-17-10-12-21(13-11-17)29(26,27)23(18(2)14-22(25)28-4)19(3)15-24-16-20-8-6-5-7-9-20/h5-13,18,23-24H,3,14-16H2,1-2,4H3 |
| InChIKey |
WSEHGFSLSIPHNJ-UHFFFAOYSA-N |
| Molecular Weight |
415.548 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)(C(=C)CNCC1=CC=CC=C1)C(CC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825941 |
![Methyl threo-5-[(benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate](/api/spectrum/9dinHhCdNlN/structure.png?h=300&w=458 "Methyl threo-5-[(benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate")
