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GPCXQNNOCYGKIY-GZBFAFLISA-N
SpectraBase Compound ID 4xYMnmqPJ8W
InChI InChI=1S/C18H20N2O8S/c1-26-16(24)18(17(25)27-2)8-12(22)29-15-13(14(23)20(15)18)19-11(21)9-28-10-6-4-3-5-7-10/h3-7,12-13,15,22H,8-9H2,1-2H3,(H,19,21)/t12-,13+,15+/m0/s1
InChIKey GPCXQNNOCYGKIY-GZBFAFLISA-N
Mol Weight 424.42 g/mol
Molecular Formula C18H20N2O8S
Exact Mass 424.094037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mKOcS2ZdPW
Name GPCXQNNOCYGKIY-GZBFAFLISA-N
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O8S
InChI InChI=1S/C18H20N2O8S/c1-26-16(24)18(17(25)27-2)8-12(22)29-15-13(14(23)20(15)18)19-11(21)9-28-10-6-4-3-5-7-10/h3-7,12-13,15,22H,8-9H2,1-2H3,(H,19,21)/t12-,13+,15+/m0/s1
InChIKey GPCXQNNOCYGKIY-GZBFAFLISA-N
Literature Reference Author S.WOLFE,S.RO,C.K.KIM,Z.SHI
Literature Reference Citation CAN.J.CHEM.,79,1238(2001)
Literature Reference DOI 10.1139/cjc-79-8-1238
Molecular Weight 424.425 g/mol
Solvent CDCl3
Source File Reference UWSI16141