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DIASTEREOMER-#1
SpectraBase Compound ID AhqHlTHkJkT
InChI InChI=1S/C18H29N2O12PS/c1-33(34,29-5-3-8-12(23)15(26)13(24)9(6-21)31-8)30-7-10-14(25)16(27)17(32-10)20-4-2-11(22)19-18(20)28/h2,4,8-10,12-17,21,23-27H,3,5-7H2,1H3,(H,19,22,28)/t8-,9-,10-,12+,13-,14-,15-,16-,17-,33?/m0/s1
InChIKey MIAFUDLXKQQACT-UZUJKTNMSA-N
Mol Weight 528.47 g/mol
Molecular Formula C18H29N2O12PS
Exact Mass 528.117883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHKlXtprO0V
Name DIASTEREOMER-#1
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29N2O12PS
InChI InChI=1S/C18H29N2O12PS/c1-33(34,29-5-3-8-12(23)15(26)13(24)9(6-21)31-8)30-7-10-14(25)16(27)17(32-10)20-4-2-11(22)19-18(20)28/h2,4,8-10,12-17,21,23-27H,3,5-7H2,1H3,(H,19,22,28)/t8-,9-,10-,12+,13-,14-,15-,16-,17-,33?/m0/s1
InChIKey MIAFUDLXKQQACT-UZUJKTNMSA-N
Literature Reference Author H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDERELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA
Literature Reference Citation REC.TR.CH.P.-B.,109,583(1990)
Literature Reference DOI 10.1002/recl.19901091204
Molecular Weight 528.468 g/mol
Solvent D2O
Source File Reference UWTS2018