| SpectraBase Spectrum ID |
GEL68kTDn2f |
| Name |
N-{7-[(2-Chlorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-fluorobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.067363826 u |
| Formula |
C22H15ClFNO4 |
| InChI |
InChI=1S/C22H15ClFNO4/c23-17-7-2-1-6-15(17)21(26)16-11-19-20(29-9-8-28-19)12-18(16)25-22(27)13-4-3-5-14(24)10-13/h1-7,10-12H,8-9H2,(H,25,27) |
| InChIKey |
IUUOIWONJPMMCY-UHFFFAOYSA-N |
| Molecular Weight |
411.816 g/mol |
| SMILES |
C=1(C(C=2C(Cl)=CC=CC2)=O)C(NC(C=2C=C(F)C=CC2)=O)=CC2=C(C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881964 |
![N-{7-[(2-chlorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-fluorobenzamide](/api/spectrum/GEL68kTDn2f/structure.png?h=300&w=458 "N-{7-[(2-chlorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3-fluorobenzamide")
