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1-N,5-N-bis[2-(4-fluorophenoxy)ethyl]naphthalene-1,5-disulfonamide

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1-N,5-N-bis[2-(4-fluorophenoxy)ethyl]naphthalene-1,5-disulfonamide
SpectraBase Compound ID IGRD0ilKqdO
InChI InChI=1S/C26H24F2N2O6S2/c27-19-7-11-21(12-8-19)35-17-15-29-37(31,32)25-5-1-3-23-24(25)4-2-6-26(23)38(33,34)30-16-18-36-22-13-9-20(28)10-14-22/h1-14,29-30H,15-18H2
InChIKey ORHZOQBHTKLMHQ-UHFFFAOYSA-N
Mol Weight 562.6 g/mol
Molecular Formula C26H24F2N2O6S2
Exact Mass 562.104385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDOLfGUkiPP
Name 1-N,5-N-bis[2-(4-Fluorophenoxy)ethyl]naphthalene-1,5-disulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.104385169 u
Formula C26H24F2N2O6S2
InChI InChI=1S/C26H24F2N2O6S2/c27-19-7-11-21(12-8-19)35-17-15-29-37(31,32)25-5-1-3-23-24(25)4-2-6-26(23)38(33,34)30-16-18-36-22-13-9-20(28)10-14-22/h1-14,29-30H,15-18H2
InChIKey ORHZOQBHTKLMHQ-UHFFFAOYSA-N
Molecular Weight 562.603 g/mol
SMILES C(OC1=CC=C(C=C1)F)CNS(C=1C=2C(=C(S(=O)(=O)NCCOC3=CC=C(C=C3)F)C=CC2)C=CC1)(=O)=O