For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,1-DIFLUORO-1-(METJYLSULFONYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-[4-(TRIFLUOROMETHYL)-PHENYL]-2-PROPANOL
SpectraBase Compound ID 37dvGR7dhhT
InChI InChI=1S/C13H12F5N3O3S/c1-25(23,24)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 NYQMNVHUVOOVDI-UHFFFAOYSA-N
Mol Weight 385.31 g/mol
Molecular Formula C13H12F5N3O3S
Exact Mass 385.051953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Hh6mjBB3pnC
Name 1,1-bis(fluoranyl)-1-methylsulfonyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F5N3O3S
InChI InChI=1S/C13H12F5N3O3S/c1-25(23,24)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 NYQMNVHUVOOVDI-UHFFFAOYSA-N
Molecular Weight 385.309 g/mol
SMILES OC(C(S(=O)(=O)C)(F)F)(C[n]1ncnc1)c1ccc(cc1)C(F)(F)F
SPLASH splash10-03di-0009000000-74e5a8b236e2b69736fe
Source of Spectrum E2-49-181-2
Synonyms 1,1-Difluoro-1-mesyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol 1,1-Difluoro-1-methylsulfonyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]-2-propanol 1,1-Difluoro-1-methylsulfonyl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
Wiley ID 1555576