SpectraBase Spectrum ID |
CRqfHJwceYB |
Name |
2-[[2-(2,4-Difluorophenyl)oxiran-2-yl]-difluoro-methyl]pyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
283.062026565 u |
Formula |
C14H9F4NO |
InChI |
InChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2 |
InChIKey |
BCMOKDBAQGMQLW-UHFFFAOYSA-N |
Molecular Weight |
283.226 g/mol |
SMILES |
C1(C(C2=NC=CC=C2)(F)F)(OC1)C=1C(=CC(=CC1)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879576 |