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[(5R)-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl methanesulfonate
SpectraBase Compound ID ACdv8NL2Fb
InChI InChI=1S/C15H19FN2O5S2/c1-25(20,21)22-10-12-9-18(15(19)23-12)11-2-3-14(13(16)8-11)17-4-6-24-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m1/s1
InChIKey FZDJWMMHVWWLSQ-GFCCVEGCSA-N
Mol Weight 390.44 g/mol
Molecular Formula C15H19FN2O5S2
Exact Mass 390.071942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75LoFxRv0dV
Name [(5R)-3-(3-Fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl methanesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.071942226 u
Formula C15H19FN2O5S2
InChI InChI=1S/C15H19FN2O5S2/c1-25(20,21)22-10-12-9-18(15(19)23-12)11-2-3-14(13(16)8-11)17-4-6-24-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m1/s1
InChIKey FZDJWMMHVWWLSQ-GFCCVEGCSA-N
Molecular Weight 390.444 g/mol
SMILES C1(N(C=2C=C(F)C(=CC2)N2CCSCC2)C[C@@](O1)(COS(=O)(=O)C)[H])=O