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1,1-bis(fluoranyl)-1-methylsulfonyl-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SpectraBase Compound ID GEBGryiut15
InChI InChI=1S/C12H13F2N3O3S/c1-21(19,20)12(13,14)11(18,7-17-9-15-8-16-17)10-5-3-2-4-6-10/h2-6,8-9,18H,7H2,1H3
InChIKey TUTFZQCHMUFUTH-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C12H13F2N3O3S
Exact Mass 317.064569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZ89WhB0t0Q
Name 1,1-bis(fluoranyl)-1-methylsulfonyl-2-phenyl-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 C12H13F2N3O3S
InChI InChI=1S/C12H13F2N3O3S/c1-21(19,20)12(13,14)11(18,7-17-9-15-8-16-17)10-5-3-2-4-6-10/h2-6,8-9,18H,7H2,1H3
InChIKey TUTFZQCHMUFUTH-UHFFFAOYSA-N
Molecular Weight 317.311 g/mol
SMILES OC(C(S(=O)(=O)C)(F)F)(C[n]1ncnc1)c1ccccc1
SPLASH splash10-000i-0090000000-41bb5efa609e0aedce1e
Source of Spectrum E2-49-181-2
Synonyms 1,1-difluoro-1-mesyl-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol 1,1-difluoro-1-methylsulfonyl-2-phenyl-3-(1,2,4-triazol-1-yl)-2-propanol 1,1-difluoro-1-methylsulfonyl-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555578