| SpectraBase Spectrum ID |
1Uos7mSSzcP |
| Name |
ip 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 |
357.194008349 u |
| Formula |
C21H27NO4 |
| InChI |
InChI=1S/C21H27NO4/c1-15(2)26-21-19(24-4)12-17(13-20(21)25-5)10-11-22-14-16-6-8-18(23-3)9-7-16/h6-9,12-15H,10-11H2,1-5H3/b22-14+ |
| InChIKey |
MPTPFJLNEXWQOL-HYARGMPZSA-N |
| Molecular Weight |
357.450 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CC\N=C\C1=CC=C(C=C1)OC)OC)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966163 |
