| SpectraBase Spectrum ID |
4tUGXONyBX |
| Name |
N-{7-[(2-Bromophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.036835679 u |
| Formula |
C23H18BrNO5 |
| InChI |
InChI=1S/C23H18BrNO5/c1-28-15-8-6-14(7-9-15)23(27)25-19-13-21-20(29-10-11-30-21)12-17(19)22(26)16-4-2-3-5-18(16)24/h2-9,12-13H,10-11H2,1H3,(H,25,27) |
| InChIKey |
BTNNHPRNANHMRQ-UHFFFAOYSA-N |
| Molecular Weight |
468.303 g/mol |
| SMILES |
C=1(C(C=2C(Br)=CC=CC2)=O)C(NC(C=2C=CC(OC)=CC2)=O)=CC2=C(C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814847 |
![N-[7-(2-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methoxy-benzamide](/api/spectrum/4tUGXONyBX/structure.png?h=300&w=458 "N-[7-(2-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methoxy-benzamide")
