| SpectraBase Spectrum ID |
GIE8O8xgzuI |
| Name |
5-Bromo-2-[2-(2,5-dimethoxy-phenyl)-2-oxo-ethoxy]-benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.010620931 u |
| Formula |
C17H14BrNO4 |
| InChI |
InChI=1S/C17H14BrNO4/c1-21-13-4-6-17(22-2)14(8-13)15(20)10-23-16-5-3-12(18)7-11(16)9-19/h3-8H,10H2,1-2H3 |
| InChIKey |
NZDADFCBBZACKX-UHFFFAOYSA-N |
| Molecular Weight |
376.206 g/mol |
| SMILES |
C1(C(COC2=C(C#N)C=C(Br)C=C2)=O)=C(C=CC(OC)=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879692 |
![5-Bromo-2-[2-(2,5-dimethoxy-phenyl)-2-oxo-ethoxy]-benzonitrile](/api/spectrum/GIE8O8xgzuI/structure.png?h=300&w=458 "5-Bromo-2-[2-(2,5-dimethoxy-phenyl)-2-oxo-ethoxy]-benzonitrile")
