| SpectraBase Spectrum ID |
40jg0bMUh6k |
| Name |
Phenol, 2-(2,2-difluoro-1,3-benzodioxol-5-yliminomethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.055049477 u |
| Formula |
C14H9F2NO3 |
| InChI |
InChI=1S/C14H9F2NO3/c15-14(16)19-12-6-5-10(7-13(12)20-14)17-8-9-3-1-2-4-11(9)18/h1-8,18H/b17-8+ |
| InChIKey |
JLNUIXHALLRQRD-CAOOACKPSA-N |
| Molecular Weight |
277.227 g/mol |
| SMILES |
C1(OC2=CC(\N=C\C3=CC=CC=C3O)=CC=C2O1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93354 |
