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2-(2,4-difluorophenyl)-1,1-difluoro-1-p-anisylsulfonyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SpectraBase Compound ID GV9wrDvmQkN
InChI InChI=1S/C19H17F4N3O4S/c1-30-15-5-2-13(3-6-15)9-31(28,29)19(22,23)18(27,10-26-12-24-11-25-26)16-7-4-14(20)8-17(16)21/h2-8,11-12,27H,9-10H2,1H3
InChIKey FFBWGJVWTNPMDM-UHFFFAOYSA-N
Mol Weight 459.42 g/mol
Molecular Formula C19H17F4N3O4S
Exact Mass 459.08759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5KEJI2HcCN
Name 2-(2,4-difluorophenyl)-1,1-difluoro-1-p-anisylsulfonyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F4N3O4S
InChI InChI=1S/C19H17F4N3O4S/c1-30-15-5-2-13(3-6-15)9-31(28,29)19(22,23)18(27,10-26-12-24-11-25-26)16-7-4-14(20)8-17(16)21/h2-8,11-12,27H,9-10H2,1H3
InChIKey FFBWGJVWTNPMDM-UHFFFAOYSA-N
Molecular Weight 459.416 g/mol
SMILES OC(C(S(Cc1ccc(cc1)OC)(=O)=O)(F)F)(c1c(cc(cc1)F)F)C[n]1ncnc1
SPLASH splash10-00di-0900000000-9e1f99e2be411c6cf8eb
Source of Spectrum E2-49-182-2
Synonyms 2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methoxyphenyl)methylsulfonyl]-3-(1,2,4-triazol-1-yl)-2-propanol 2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methoxyphenyl)methylsulfonyl]-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-[(4-methoxyphenyl)methylsulfonyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555665