| SpectraBase Spectrum ID |
5of4xEgAxYI |
| Name |
6-Bromo-2'-hydroxy-2-benzyloxy-piperonyl acid anilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.021185614 u |
| Formula |
C21H16BrNO5 |
| InChI |
InChI=1S/C21H16BrNO5/c22-14-10-17-19(28-12-27-17)20(26-11-13-6-2-1-3-7-13)18(14)21(25)23-15-8-4-5-9-16(15)24/h1-10,24H,11-12H2,(H,23,25) |
| InChIKey |
SGDCNGSUKQCFCZ-UHFFFAOYSA-N |
| Molecular Weight |
442.265 g/mol |
| SMILES |
C12=CC(=C(C(=C2OCO1)OCC1=CC=CC=C1)C(NC1=C(C=CC=C1)O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898709 |
