| SpectraBase Spectrum ID |
GIEaCJTOhyJ |
| Name |
5-Toet N-(4-methoxybenzyl)-A (-2H) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.176250285 u |
| Formula |
C21H27NO2S |
| InChI |
InChI=1S/C21H27NO2S/c1-6-17-12-20(24-4)18(13-21(17)25-5)11-15(2)22-14-16-7-9-19(23-3)10-8-16/h7-10,12-15H,6,11H2,1-5H3/b22-14+ |
| InChIKey |
BPFSBWPGHSNEPB-HYARGMPZSA-N |
| Molecular Weight |
357.512 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)SC)CC)OC)CC(\N=C\C1=CC=C(C=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911554 |
