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(9E)-CLATHRIDINE-9-N-(2-SULFOETHYL)-IMINE

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(9E)-CLATHRIDINE-9-N-(2-SULFOETHYL)-IMINE
SpectraBase Compound ID 3U3BJvZ0seg
InChI InChI=1S/C18H20N6O6S/c1-23-9-12(7-11-3-4-13-14(8-11)30-10-29-13)20-18(23)22-15-16(25)24(2)17(21-15)19-5-6-31(26,27)28/h3-4,8-9H,5-7,10H2,1-2H3,(H,26,27,28)(H,19,20,21,22)
InChIKey QPBAQFOATLMCCA-UHFFFAOYSA-N
Mol Weight 448.45 g/mol
Molecular Formula C18H20N6O6S
Exact Mass 448.116504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JuYl365jWC
Name (9E)-CLATHRIDINE-9-N-(2-SULFOETHYL)-IMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N6O6S
InChI InChI=1S/C18H20N6O6S/c1-23-9-12(7-11-3-4-13-14(8-11)30-10-29-13)20-18(23)22-15-16(25)24(2)17(21-15)19-5-6-31(26,27)28/h3-4,8-9H,5-7,10H2,1-2H3,(H,26,27,28)(H,19,20,21,22)
InChIKey QPBAQFOATLMCCA-UHFFFAOYSA-N
Literature Reference Author H.Y.HE,D.J.FAULKNER,A.Y.LEE,J.CLARDY
Literature Reference Citation J.ORG.CHEM.,57,2176(1992)
Literature Reference DOI 10.1021/jo00033a051
Molecular Weight 448.453 g/mol
Solvent CDCl3:DMSO-D6=1:5
Source File Reference UWCS618