| SpectraBase Spectrum ID |
AIyzM9MBb2D |
| Name |
1,1-bis(fluoranyl)-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol |
| Alternate Name(s) |
1,1-difluoro-1-(methylthio)-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]-2-propanol
1,1-difluoro-1-(methylthio)-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
1,1-difluoro-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12F5N3OS |
| InChI |
InChI=1S/C13H12F5N3OS/c1-23-13(17,18)11(22,6-21-8-19-7-20-21)9-2-4-10(5-3-9)12(14,15)16/h2-5,7-8,22H,6H2,1H3 |
| InChIKey |
MJDRMMFCBFPFEN-UHFFFAOYSA-N |
| Molecular Weight |
353.311 g/mol |
| SMILES |
OC(C(SC)(F)F)(C[n]1ncnc1)c1ccc(cc1)C(F)(F)F |
| SPLASH |
splash10-0a4i-0090000000-3a4b21aff21222ba5e77 |
| Source of Spectrum |
E2-49-180-9 |
| Wiley ID |
1555594 |
![1,1-DIFLUORO-1-(METHYLTHIO)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL](/api/spectrum/AIyzM9MBb2D/structure.png?h=300&w=458 "1,1-DIFLUORO-1-(METHYLTHIO)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL")
