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YOMHCDSFIKPMPI-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

YOMHCDSFIKPMPI-UHFFFAOYSA-N
SpectraBase Compound ID 7k1OlH4vw9N
InChI InChI=1S/C38H52N6O14/c1-49-31-7-5-25(21-33(31)51-3)9-11-43-59-39-27-23-29(41(39)61-43)37(47)57(63-43)19-17-53-13-16-56-36(46)28-24-30-38(48)58(20-18-54-14-15-55-35(27)45)64-44(60-40(28)42(30)62-44)12-10-26-6-8-32(50-2)34(22-26)52-4/h5-8,21-24,41-42H,9-20H2,1-4H3/q+2
InChIKey YOMHCDSFIKPMPI-UHFFFAOYSA-N
Mol Weight 816.9 g/mol
Molecular Formula C38H52N6O14
Exact Mass 816.35415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXx5Uso3Mp6
Name YOMHCDSFIKPMPI-UHFFFAOYSA-N
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N6O14
InChI InChI=1S/C38H52N6O14/c1-49-31-7-5-25(21-33(31)51-3)9-11-43-59-39-27-23-29(41(39)61-43)37(47)57(63-43)19-17-53-13-16-56-36(46)28-24-30-38(48)58(20-18-54-14-15-55-35(27)45)64-44(60-40(28)42(30)62-44)12-10-26-6-8-32(50-2)34(22-26)52-4/h5-8,21-24,41-42H,9-20H2,1-4H3/q+2
InChIKey YOMHCDSFIKPMPI-UHFFFAOYSA-N
Literature Reference Author L.CAMPAYO,J.M.BUENO,P.NAVARRO,C.OCHOA,J.JIMENEZ-BARBERO,G.PE PE,A.SAMAT
Literature Reference Citation J.ORG.CHEM.,62,2684(1997)
Literature Reference DOI 10.1021/jo9623651
Molecular Weight 816.863 g/mol
Solvent DMSO-D6