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1,9,12,20-Tetraoxa-4,6,15,17-tetraazacyclodocosane-5,16-dithione

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1,9,12,20-Tetraoxa-4,6,15,17-tetraazacyclodocosane-5,16-dithione
SpectraBase Compound ID DzNa4bSmUTE
InChI InChI=1S/C14H28N4O4S2/c23-13-15-1-5-19-9-10-20-7-3-17-14(24)18-4-8-22-12-11-21-6-2-16-13/h1-12H2,(H2,15,16,23)(H2,17,18,24)
InChIKey KYRYJWOVVIXRDK-UHFFFAOYSA-N
Mol Weight 380.52 g/mol
Molecular Formula C14H28N4O4S2
Exact Mass 380.155198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbzWsycws35
Name 1,9,12,20-Tetraoxa-4,6,15,17-tetraazacyclodocosane-5,16-dithione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.155197742 u
Formula C14H28N4O4S2
InChI InChI=1S/C14H28N4O4S2/c23-13-15-1-5-19-9-10-20-7-3-17-14(24)18-4-8-22-12-11-21-6-2-16-13/h1-12H2,(H2,15,16,23)(H2,17,18,24)
InChIKey KYRYJWOVVIXRDK-UHFFFAOYSA-N
Molecular Weight 380.522 g/mol
SMILES C1OCCNC(NCCOCCOCCNC(NCCOC1)=S)=S