| SpectraBase Spectrum ID |
Gk6S1ADNRzP |
| Name |
3,4,5-Trimethoxy-N-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.173666825 u |
| Formula |
C21H27NO8 |
| InChI |
InChI=1S/C21H27NO8/c1-25-15-7-12(8-16(26-2)19(15)29-5)14(23)11-22-21(24)13-9-17(27-3)20(30-6)18(10-13)28-4/h7-10,14,23H,11H2,1-6H3,(H,22,24) |
| InChIKey |
APWMWTKBBSLMQW-UHFFFAOYSA-N |
| Molecular Weight |
421.446 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)C(NCC(C=1C=C(OC)C(=C(C1)OC)OC)O)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969103 |
![3,4,5-trimethoxy-N-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]benzamide](/api/spectrum/Gk6S1ADNRzP/structure.png?h=300&w=458 "3,4,5-trimethoxy-N-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]benzamide")
