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2,2'-Dithioxydi(ethanamine), N,N'-bis(4-fluorobenzoyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2'-Dithioxydi(ethanamine), N,N'-bis(4-fluorobenzoyl)-
SpectraBase Compound ID DCX7CRN9EvG
InChI InChI=1S/C18H18F2N2O2S2/c19-15-5-1-13(2-6-15)17(23)21-9-11-25-26-12-10-22-18(24)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey CLTICFKNEDZVGP-UHFFFAOYSA-N
Mol Weight 396.47 g/mol
Molecular Formula C18H18F2N2O2S2
Exact Mass 396.077776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg39ceFZQX0
Name 2,2'-Dithioxydi(ethanamine), N,N'-bis(4-fluorobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.077776500 u
Formula C18H18F2N2O2S2
InChI InChI=1S/C18H18F2N2O2S2/c19-15-5-1-13(2-6-15)17(23)21-9-11-25-26-12-10-22-18(24)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey CLTICFKNEDZVGP-UHFFFAOYSA-N
Molecular Weight 396.471 g/mol
SMILES C(C1=CC=C(C=C1)F)(=O)NCCSSCCNC(C1=CC=C(C=C1)F)=O