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12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoro-3,9-dithia-6-oxaheptadecanoic acid, N,N-bis(2-hydroxyethyl)amide

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12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoro-3,9-dithia-6-oxaheptadecanoic acid, N,N-bis(2-hydroxyethyl)amide
SpectraBase Compound ID KOxN4NguzV0
InChI InChI=1S/C18H24F13NO4S2/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)1-8-37-9-6-36-7-10-38-11-12(35)32(2-4-33)3-5-34/h33-34H,1-11H2
InChIKey MCTXTWKJHLVNOD-UHFFFAOYSA-N
Mol Weight 629.49 g/mol
Molecular Formula C18H24F13NO4S2
Exact Mass 629.093917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aUIu5vpJkO
Name 12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoro-3,9-dithia-6-oxaheptadecanoic 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 629.093916720 u
Formula C18H24F13NO4S2
InChI InChI=1S/C18H24F13NO4S2/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)1-8-37-9-6-36-7-10-38-11-12(35)32(2-4-33)3-5-34/h33-34H,1-11H2
InChIKey MCTXTWKJHLVNOD-UHFFFAOYSA-N
Molecular Weight 629.492 g/mol
SMILES OCCN(CCO)C(CSCCOCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O