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15,15,16,16,17,17,18,18,19,19,20,20,20-Tridecafluoro-3,12-dithia-6,9-dioxaeicosanoic acid, N,N-bis(2-hydroxyethyl)amide

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15,15,16,16,17,17,18,18,19,19,20,20,20-Tridecafluoro-3,12-dithia-6,9-dioxaeicosanoic acid, N,N-bis(2-hydroxyethyl)amide
SpectraBase Compound ID 550wkoSIG6M
InChI InChI=1S/C20H28F13NO5S2/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-10-40-11-8-38-6-7-39-9-12-41-13-14(37)34(2-4-35)3-5-36/h35-36H,1-13H2
InChIKey VSPFGEMICYWMQF-UHFFFAOYSA-N
Mol Weight 673.55 g/mol
Molecular Formula C20H28F13NO5S2
Exact Mass 673.120131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5L41iigtdrx
Name 15,15,16,16,17,17,18,18,19,19,20,20,20-Tridecafluoro-3,12-dithia-6,9-dioxaeicosanoic acid, N,N-bis(2-hydroxyethyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 673.120131468 u
Formula C20H28F13NO5S2
InChI InChI=1S/C20H28F13NO5S2/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-10-40-11-8-38-6-7-39-9-12-41-13-14(37)34(2-4-35)3-5-36/h35-36H,1-13H2
InChIKey VSPFGEMICYWMQF-UHFFFAOYSA-N
Molecular Weight 673.545 g/mol
SMILES OCCN(CCO)C(CSCCOCCOCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O