| SpectraBase Spectrum ID |
A5F1Yj8M0BR |
| Name |
{[4',5'-Dimethoxy-2'-[3''-(4'''-methylphenyl)but-2'-ynyl)phenyl]methylene}methylamine - N-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-15-8-10-16(11-9-15)6-5-7-17-12-19(23-3)20(24-4)13-18(17)14-21(2)22/h8-14H,7H2,1-4H3/b21-14- |
| InChIKey |
KSGSFJIUGOCWLR-STZFKDTASA-N |
| Molecular Weight |
323.392 g/mol |
| SMILES |
C=1(\C=[N+]\([O-])C)C(=CC(OC)=C(C1)OC)CC#CC1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876854 |
![{[4',5'-Dimethoxy-2'-[3"-(4"'-methylphenyl)but-2'-ynyl)phenyl]methylene}methylamine - N-Oxide](/api/spectrum/A5F1Yj8M0BR/structure.png?h=300&w=458 "{[4',5'-Dimethoxy-2'-[3\"-(4\"'-methylphenyl)but-2'-ynyl)phenyl]methylene}methylamine - N-Oxide")
