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MIXTURE
SpectraBase Compound ID JvKSTbsKlWz
InChI InChI=1S/2C20H23N5O6/c2*21-19-18-20(25(9-22-18)17-5-13(28)16(7-26)31-17)23-8-24(19)6-12(27)3-11-1-2-14-15(4-11)30-10-29-14/h2*1-2,4,8-9,12-13,16-17,21,26-28H,3,5-7,10H2/t12-,13+,16-,17-;12-,13-,16+,17+/m10/s1
InChIKey MPGJXHPGCOYZIB-WWTKAHTLSA-N
Mol Weight 858.87 g/mol
Molecular Formula C40H46N10O12
Exact Mass 858.329667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gDkj6X3Xgr
Name MIXTURE
Compound Number RACEMIC-#4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46N10O12
InChI InChI=1S/2C20H23N5O6/c2*21-19-18-20(25(9-22-18)17-5-13(28)16(7-26)31-17)23-8-24(19)6-12(27)3-11-1-2-14-15(4-11)30-10-29-14/h2*1-2,4,8-9,12-13,16-17,21,26-28H,3,5-7,10H2/t12-,13+,16-,17-;12-,13-,16+,17+/m10/s1
InChIKey MPGJXHPGCOYZIB-WWTKAHTLSA-N
Literature Reference Author L.C.SHEN,S.Y.CHIANG,I.T.HO,K.Y.WU,W.S.CHUNG
Literature Reference Citation EUR.J.ORG.CHEM.,2012,792(2012)
Literature Reference DOI 10.1002/ejoc.201101384
Molecular Weight 858.865 g/mol
Solvent DMSO-D6
Source File Reference UWLU85107