| SpectraBase Spectrum ID |
IA405bOYQgD |
| Name |
2-(2,4-Difluorophenyl)-2-[difluoro-(phenylmethylthio)methyl]oxirane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.054498831 u |
| Formula |
C16H12F4OS |
| InChI |
InChI=1S/C16H12F4OS/c17-12-6-7-13(14(18)8-12)15(10-21-15)16(19,20)22-9-11-4-2-1-3-5-11/h1-8H,9-10H2 |
| InChIKey |
DKHPMOVJIHQHRT-UHFFFAOYSA-N |
| Molecular Weight |
328.325 g/mol |
| SMILES |
C1(OC1)(C(SCC=1C=CC=CC1)(F)F)C=1C(=CC(=CC1)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821988 |
![2-(2,4-Difluorophenyl)-2-[difluoro-(phenylmethylthio)methyl]oxirane](/api/spectrum/IA405bOYQgD/structure.png?h=300&w=458 "2-(2,4-Difluorophenyl)-2-[difluoro-(phenylmethylthio)methyl]oxirane")
