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ASCIDIATHIAZONE_A_METHYLESTER
SpectraBase Compound ID E5ilWoX8qkk
InChI InChI=1S/C13H10N2O6S/c1-21-13(18)7-3-2-6-8(15-7)11(17)9-12(10(6)16)22(19,20)5-4-14-9/h2-3,14H,4-5H2,1H3
InChIKey LVPCDDSHBBKHBW-UHFFFAOYSA-N
Mol Weight 322.29 g/mol
Molecular Formula C13H10N2O6S
Exact Mass 322.025957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18GVd539It9
Name ASCIDIATHIAZONE_A_METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10N2O6S
InChI InChI=1S/C13H10N2O6S/c1-21-13(18)7-3-2-6-8(15-7)11(17)9-12(10(6)16)22(19,20)5-4-14-9/h2-3,14H,4-5H2,1H3
InChIKey LVPCDDSHBBKHBW-UHFFFAOYSA-N
Literature Reference Author A.N.PEARCE,E.W.CHIA,M.V.BERRIDGE,G.R.CLARK,J.L.HARPER,L.LARS EN,E.W.MAAS,M.J.PAGE
Literature Reference Citation J.NAT.PROD.,70,936(2007)
Literature Reference DOI 10.1021/np060626o
Molecular Weight 322.292 g/mol
Sample ID 30402
Solvent DMSO-D6