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1,4,7,10-TETRAOXA-13,22-DITHIA-16,19-DIAZA-15,20-DIOXO-11,12,17,18,23,24-TRIBENZOTETRACOSANE
SpectraBase Compound ID 2O37h9i4yA
InChI InChI=1S/C28H30N2O6S2/c31-27-19-37-25-11-5-3-9-23(25)35-17-15-33-13-14-34-16-18-36-24-10-4-6-12-26(24)38-20-28(32)30-22-8-2-1-7-21(22)29-27/h1-12H,13-20H2,(H,29,31)(H,30,32)
InChIKey CXCPTROSGCFQMU-UHFFFAOYSA-N
Mol Weight 554.68 g/mol
Molecular Formula C28H30N2O6S2
Exact Mass 554.154529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnF9bTUysNI
Name 1,4,7,10-TETRAOXA-13,22-DITHIA-16,19-DIAZA-15,20-DIOXO-11,12,17,18,23,24-TRIBENZOTETRACOSANE
Compound Number XXI V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O6S2
InChI InChI=1S/C28H30N2O6S2/c31-27-19-37-25-11-5-3-9-23(25)35-17-15-33-13-14-34-16-18-36-24-10-4-6-12-26(24)38-20-28(32)30-22-8-2-1-7-21(22)29-27/h1-12H,13-20H2,(H,29,31)(H,30,32)
InChIKey CXCPTROSGCFQMU-UHFFFAOYSA-N
Literature Reference Author K.V.KUDRYATSEV,V.V.SAMOFIN
Literature Reference Citation CHEM.HET.COMP.,33,106(1997)
Literature Reference DOI 10.1007/bf02290756
Molecular Weight 554.676 g/mol
Solvent CDCl3
Source File Reference UWMZ14472