| SpectraBase Spectrum ID |
56nbaIXljuO |
| Name |
3,4-Dimethoxy-1-[4-(methoxyphenyl)-2-nitroethyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.126322711 u |
| Formula |
C17H19NO5 |
| InChI |
InChI=1S/C17H19NO5/c1-21-14-7-4-12(5-8-14)15(11-18(19)20)13-6-9-16(22-2)17(10-13)23-3/h4-10,15H,11H2,1-3H3 |
| InChIKey |
DXWVFFGGAXUXRN-UHFFFAOYSA-N |
| Molecular Weight |
317.341 g/mol |
| SMILES |
C(N(=O)=O)C(C1=CC(OC)=C(C=C1)OC)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927681 |
![3,4-Dimethoxy-1-[4-(methoxyphenyl)-2-nitroethyl]benzene](/api/spectrum/56nbaIXljuO/structure.png?h=300&w=458 "3,4-Dimethoxy-1-[4-(methoxyphenyl)-2-nitroethyl]benzene")
