| SpectraBase Spectrum ID |
Gj26bOPnO6q |
| Name |
Mdbp-m (piperonylamine) tfa @P583 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.045627608 u |
| Formula |
C10H8F3NO3 |
| InChI |
InChI=1S/C10H8F3NO3/c11-10(12,13)9(15)14-4-6-1-2-7-8(3-6)17-5-16-7/h1-3H,4-5H2,(H,14,15) |
| InChIKey |
NGNSCJFIZWKKCW-UHFFFAOYSA-N |
| Molecular Weight |
247.173 g/mol |
| SMILES |
C1=CC(=CC=2OCOC12)CNC(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931963 |
