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KRLOKGBCPLYANF-YJDWAGIMSA-N
SpectraBase Compound ID 2Qe7Kvip9yg
InChI InChI=1S/C21H30O8S/c1-12-17(24)18(25)19(26)20(28-12)29-15-7-2-3-8-21(15,27)14-6-4-5-13(9-14)10-30-11-16(22)23/h4-6,9,12,15,17-20,24-27H,2-3,7-8,10-11H2,1H3,(H,22,23)/t12-,15+,17+,18+,19-,20-,21+/m1/s1
InChIKey KRLOKGBCPLYANF-YJDWAGIMSA-N
Mol Weight 442.52 g/mol
Molecular Formula C21H30O8S
Exact Mass 442.166139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QjBVQNxYC9
Name KRLOKGBCPLYANF-YJDWAGIMSA-N
Compound Number 1653
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O8S
InChI InChI=1S/C21H30O8S/c1-12-17(24)18(25)19(26)20(28-12)29-15-7-2-3-8-21(15,27)14-6-4-5-13(9-14)10-30-11-16(22)23/h4-6,9,12,15,17-20,24-27H,2-3,7-8,10-11H2,1H3,(H,22,23)/t12-,15+,17+,18+,19-,20-,21+/m1/s1
InChIKey KRLOKGBCPLYANF-YJDWAGIMSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 442.524 g/mol
Sample ID 3677
Solvent D2O