| SpectraBase Spectrum ID |
Gm16OC7nGvi |
| Name |
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(pentylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19F4N3O3S |
| InChI |
InChI=1S/C16H19F4N3O3S/c1-2-3-4-7-27(25,26)16(19,20)15(24,9-23-11-21-10-22-23)13-6-5-12(17)8-14(13)18/h5-6,8,10-11,24H,2-4,7,9H2,1H3 |
| InChIKey |
CCUGSQMULSGHDP-UHFFFAOYSA-N |
| Molecular Weight |
409.400 g/mol |
| SMILES |
OC(C(S(=O)(=O)CCCCC)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F |
| SPLASH |
splash10-00di-0090000000-73351f0127b9c6322ded |
| Source of Spectrum |
E2-49-181-2 |
| Wiley ID |
1555579 |
