SpectraBase Spectrum ID |
HSIKzbCMo2O |
Name |
2-(2,4-Difluorophenyl)-2-[difluoro(phenylsulfanyl)methyl]oxirane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.038848767 u |
Formula |
C15H10F4OS |
InChI |
InChI=1S/C15H10F4OS/c16-10-6-7-12(13(17)8-10)14(9-20-14)15(18,19)21-11-4-2-1-3-5-11/h1-8H,9H2 |
InChIKey |
ZXJBAVURAXKXRZ-UHFFFAOYSA-N |
Molecular Weight |
314.298 g/mol |
SMILES |
C1(OC1)(C(SC=1C=CC=CC1)(F)F)C=1C(=CC(=CC1)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837167 |