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DISCORHABDIN_N

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DISCORHABDIN_N
SpectraBase Compound ID 3h6UQgMhHV3
InChI InChI=1S/C20H16N4O4S/c25-8-3-9-20-4-10(29-9)23-15-13(20)17-12-7(5-21-14(12)18(15)28)1-2-24(17)16(8)19(20)22-6-11(26)27/h3,5,10,16,19,22H,1-2,4,6H2,(H2,21,23,26,27,28)/p+1
InChIKey KDXKDQMZKHHIJA-UHFFFAOYSA-O
Mol Weight 409.44 g/mol
Molecular Formula C20H17N4O4S
Exact Mass 409.097051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaTDvPXGUqD
Name DISCORHABDIN_N
Compound Number 18
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N4O4S
InChI InChI=1S/C20H16N4O4S/c25-8-3-9-20-4-10(29-9)23-15-13(20)17-12-7(5-21-14(12)18(15)28)1-2-24(17)16(8)19(20)22-6-11(26)27/h3,5,10,16,19,22H,1-2,4,6H2,(H2,21,23,26,27,28)/p+1
InChIKey KDXKDQMZKHHIJA-UHFFFAOYSA-O
Literature Reference Author E.M.ANTUNES,D.R.BEUKES,M.KELLY,T.SAMAAI,L.R.BARROWS,K.M.MARS HALL,C.SINCICH,M.T.D
Literature Reference Citation J.NAT.PROD.,67,1268(2004)
Literature Reference DOI 10.1021/np034084b
Molecular Weight 409.439 g/mol
Solvent DMSO-D6
Source File Reference UWMZ7313