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HPGDPQAZQMLELN-UHFFFAOYSA-N
SpectraBase Compound ID 7r15INJBn7A
InChI InChI=1S/C44H52N4O12S4/c1-41(2,3)57-37(53)25-13-21-17-30(50)46-34-27(39(55)59-43(7,8)9)15-23(63-34)19-32(52)48-36-28(40(56)60-44(10,11)12)16-24(64-36)20-31(51)47-35-26(38(54)58-42(4,5)6)14-22(62-35)18-29(49)45-33(25)61-21/h13-16H,17-20H2,1-12H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey HPGDPQAZQMLELN-UHFFFAOYSA-N
Mol Weight 957.2 g/mol
Molecular Formula C44H52N4O12S4
Exact Mass 956.246458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vFbtS3zkUd
Name HPGDPQAZQMLELN-UHFFFAOYSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H52N4O12S4
InChI InChI=1S/C44H52N4O12S4/c1-41(2,3)57-37(53)25-13-21-17-30(50)46-34-27(39(55)59-43(7,8)9)15-23(63-34)19-32(52)48-36-28(40(56)60-44(10,11)12)16-24(64-36)20-31(51)47-35-26(38(54)58-42(4,5)6)14-22(62-35)18-29(49)45-33(25)61-21/h13-16H,17-20H2,1-12H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey HPGDPQAZQMLELN-UHFFFAOYSA-N
Literature Reference Author H.OEZBEK,D.LENTZ,H.U.REISSIG
Literature Reference Citation EUR.J.ORG.CHEM.,2010,6319(2010)
Literature Reference DOI 10.1002/ejoc.201001066
Molecular Weight 957.156 g/mol
Solvent CDCl3
Source File Reference UWLU85744