| SpectraBase Spectrum ID |
Bhl89cj6KPp |
| Name |
1,3-Benzodioxole-5-carboxamide, N-(3-trifluotomethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.061277672 u |
| Formula |
C15H10F3NO3 |
| InChI |
InChI=1S/C15H10F3NO3/c16-15(17,18)10-2-1-3-11(7-10)19-14(20)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H,19,20) |
| InChIKey |
QKETVCKOOVNOIY-UHFFFAOYSA-N |
| Molecular Weight |
309.244 g/mol |
| SMILES |
C(C1=CC(NC(C2=CC=3OCOC3C=C2)=O)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95743 |
