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HOUSTBCKPQOFFS-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

HOUSTBCKPQOFFS-UHFFFAOYSA-N
SpectraBase Compound ID EFqYcuPZrqw
InChI InChI=1S/C80H64O12S4/c81-65-45-66(82)58-41-57(65)53(33-29-49-17-5-1-6-18-49)61-43-62(70(90-78(86)74-26-14-38-94-74)47-69(61)89-77(85)73-25-13-37-93-73)55(35-31-51-21-9-3-10-22-51)59-42-60(68(84)46-67(59)83)56(36-32-52-23-11-4-12-24-52)64-44-63(54(58)34-30-50-19-7-2-8-20-50)71(91-79(87)75-27-15-39-95-75)48-72(64)92-80(88)76-28-16-40-96-76/h1-28,37-48,53-56,81-84H,29-36H2
InChIKey HOUSTBCKPQOFFS-UHFFFAOYSA-N
Mol Weight 1345.6 g/mol
Molecular Formula C80H64O12S4
Exact Mass 1344.328062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3O3cbYk6PjS
Name HOUSTBCKPQOFFS-UHFFFAOYSA-N
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H64O12S4
InChI InChI=1S/C80H64O12S4/c81-65-45-66(82)58-41-57(65)53(33-29-49-17-5-1-6-18-49)61-43-62(70(90-78(86)74-26-14-38-94-74)47-69(61)89-77(85)73-25-13-37-93-73)55(35-31-51-21-9-3-10-22-51)59-42-60(68(84)46-67(59)83)56(36-32-52-23-11-4-12-24-52)64-44-63(54(58)34-30-50-19-7-2-8-20-50)71(91-79(87)75-27-15-39-95-75)48-72(64)92-80(88)76-28-16-40-96-76/h1-28,37-48,53-56,81-84H,29-36H2
InChIKey HOUSTBCKPQOFFS-UHFFFAOYSA-N
Literature Reference Author D.J.EISLER,R.J.PUDDEPHATT
Literature Reference Citation CAN.J.CHEM.,82,185(2004)
Literature Reference DOI 10.1139/v03-105
Molecular Weight 1345.621 g/mol
Solvent Unknown
Source File Reference UWVN27593