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MIETVNJIUNISQK-MVEUVJGFSA-N

View entire compound with spectra: 1 NMR

MIETVNJIUNISQK-MVEUVJGFSA-N
SpectraBase Compound ID Hsan2wiL0zn
InChI InChI=1S/C62H50Br4O17/c1-72-44-28-18-39(19-29-44)61-51(34-8-6-5-7-9-34)50(58(71)74-3)53(81-56(69)37-14-24-42(65)25-15-37)62(61,83-57(70)38-16-26-43(66)27-17-38)52-46(73-2)30-45(31-47(52)82-61)78-60-59(75-4)77-33-49(80-60)48(79-55(68)36-12-22-41(64)23-13-36)32-76-54(67)35-10-20-40(63)21-11-35/h5-31,48-51,53,59-60H,32-33H2,1-4H3/t48-,49-,50-,51-,53-,59-,60-,61+,62+/m1/s1
InChIKey MIETVNJIUNISQK-MVEUVJGFSA-N
Mol Weight 1386.7 g/mol
Molecular Formula C62H50Br4O17
Exact Mass 1381.978152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHY5STnZxWk
Name MIETVNJIUNISQK-MVEUVJGFSA-N
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H50Br4O17
InChI InChI=1S/C62H50Br4O17/c1-72-44-28-18-39(19-29-44)61-51(34-8-6-5-7-9-34)50(58(71)74-3)53(81-56(69)37-14-24-42(65)25-15-37)62(61,83-57(70)38-16-26-43(66)27-17-38)52-46(73-2)30-45(31-47(52)82-61)78-60-59(75-4)77-33-49(80-60)48(79-55(68)36-12-22-41(64)23-13-36)32-76-54(67)35-10-20-40(63)21-11-35/h5-31,48-51,53,59-60H,32-33H2,1-4H3/t48-,49-,50-,51-,53-,59-,60-,61+,62+/m1/s1
InChIKey MIETVNJIUNISQK-MVEUVJGFSA-N
Literature Reference Author B.Y.HWANG,B.N.SU,H.CHAI,Q.MI,L.B.S.KARDONO,J.J.AFRIASTINI,S. RISWAN,B.D.SANTARSIE
Literature Reference Citation J.ORG.CHEM.,69,3350(2004)
Literature Reference DOI 10.1021/jo040120f
Molecular Weight 1386.685 g/mol
Solvent CDCl3
Source File Reference UWVN21328