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ITYONIDFABQSSO-UHFFFAOYSA-P

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ITYONIDFABQSSO-UHFFFAOYSA-P
SpectraBase Compound ID KkQa8PzWRQd
InChI InChI=1S/C18H20N4O10.2C8H11NO3/c23-15-11-9-12(20-19-11)17(25)31-7-3-28-4-8-32-18(26)14-10-13(21-22-14)16(24)30-6-2-27-1-5-29-15;2*9-8(12)4-5-1-2-6(10)7(11)3-5/h9-10H,1-8H2,(H,19,20)(H,21,22);2*1-3,8,10-12H,4,9H2/p+2
InChIKey ITYONIDFABQSSO-UHFFFAOYSA-P
Mol Weight 792.75 g/mol
Molecular Formula C34H44N6O16
Exact Mass 792.281379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EA7cb1RydhC
Name ITYONIDFABQSSO-UHFFFAOYSA-P
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44N6O16
InChI InChI=1S/C18H20N4O10.2C8H11NO3/c23-15-11-9-12(20-19-11)17(25)31-7-3-28-4-8-32-18(26)14-10-13(21-22-14)16(24)30-6-2-27-1-5-29-15;2*9-8(12)4-5-1-2-6(10)7(11)3-5/h9-10H,1-8H2,(H,19,20)(H,21,22);2*1-3,8,10-12H,4,9H2/p+2
InChIKey ITYONIDFABQSSO-UHFFFAOYSA-P
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 792.754 g/mol
Solvent DMSO-D6