| SpectraBase Spectrum ID |
CzRZMM1kZp2 |
| Name |
3-(2',4'-Dimethoxyphenyl)-4-nitro-1-phenylbutan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.126322711 u |
| Formula |
C18H19NO5 |
| InChI |
InChI=1S/C18H19NO5/c1-23-15-8-9-16(18(11-15)24-2)14(12-19(21)22)10-17(20)13-6-4-3-5-7-13/h3-9,11,14H,10,12H2,1-2H3 |
| InChIKey |
OFOWGTZBYBMUDX-UHFFFAOYSA-N |
| Molecular Weight |
329.352 g/mol |
| SMILES |
C(CC(C[N+](=O)[O-])C=1C(=CC(=CC1)OC)OC)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959974 |
