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YXOOUKPXCCYXMS-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

YXOOUKPXCCYXMS-UHFFFAOYSA-N
SpectraBase Compound ID 3WphLqJWKY2
InChI InChI=1S/C65H62Br2S4/c66-63-51(41-21-9-3-10-22-41)37-59(70-63)61-49(39-17-5-1-6-18-39)35-57(68-61)43-29-31-47-48-32-30-44(34-56(48)65(55(47)33-43)53-27-15-13-25-45(53)46-26-14-16-28-54(46)65)58-36-50(40-19-7-2-8-20-40)62(69-58)60-38-52(64(67)71-60)42-23-11-4-12-24-42/h13-16,25-42H,1-12,17-24H2
InChIKey YXOOUKPXCCYXMS-UHFFFAOYSA-N
Mol Weight 1131.3 g/mol
Molecular Formula C65H62Br2S4
Exact Mass 1128.210113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vSMNTEvhDX
Name YXOOUKPXCCYXMS-UHFFFAOYSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H62Br2S4
InChI InChI=1S/C65H62Br2S4/c66-63-51(41-21-9-3-10-22-41)37-59(70-63)61-49(39-17-5-1-6-18-39)35-57(68-61)43-29-31-47-48-32-30-44(34-56(48)65(55(47)33-43)53-27-15-13-25-45(53)46-26-14-16-28-54(46)65)58-36-50(40-19-7-2-8-20-40)62(69-58)60-38-52(64(67)71-60)42-23-11-4-12-24-42/h13-16,25-42H,1-12,17-24H2
InChIKey YXOOUKPXCCYXMS-UHFFFAOYSA-N
Literature Reference Author J.PEI,J.NI,X.H.ZHOU,X.Y.CAO,Y.H.LAI
Literature Reference Citation J.ORG.CHEM.,67,8104(2002)
Literature Reference DOI 10.1021/jo020397k
Molecular Weight 1131.255 g/mol
Solvent Unknown
Source File Reference UWMS24059