| SpectraBase Spectrum ID |
4q4DCO3nSF6 |
| Name |
N-{7-[(2-Iodophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.022967679 u |
| Formula |
C23H18INO5 |
| InChI |
InChI=1S/C23H18INO5/c1-28-15-6-4-5-14(11-15)23(27)25-19-13-21-20(29-9-10-30-21)12-17(19)22(26)16-7-2-3-8-18(16)24/h2-8,11-13H,9-10H2,1H3,(H,25,27) |
| InChIKey |
QRIJQEUCXGIPAO-UHFFFAOYSA-N |
| Molecular Weight |
515.303 g/mol |
| SMILES |
C1(=CC2=C(C=C1C(=O)C=1C(=CC=CC1)I)OCCO2)NC(=O)C=1C=C(C=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929896 |
![N-{7-[(2-iodophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-methoxybenzamide](/api/spectrum/4q4DCO3nSF6/structure.png?h=300&w=458 "N-{7-[(2-iodophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-methoxybenzamide")
