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DISCORHABDIN-I

View entire compound with spectra: 1 NMR

DISCORHABDIN-I
SpectraBase Compound ID H5xisuXTYJ4
InChI InChI=1S/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/p+1/t11-,18-/m0/s1
InChIKey XLFZHGPPKSMYOB-VOJFVSQTSA-O
Mol Weight 336.39 g/mol
Molecular Formula C18H14N3O2S
Exact Mass 336.080673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Y0KRy5zo6q
Name DISCORHABDIN-I
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14N3O2S
InChI InChI=1S/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/p+1/t11-,18-/m0/s1
InChIKey XLFZHGPPKSMYOB-VOJFVSQTSA-O
Literature Reference Author F.REYES,R.MARTIN,A.RUEDA,R.FERNANDEZ,D.MONTALVO,C.GOMEZ,J.M. SANCHEZ-PUELLES
Literature Reference Citation J.NAT.PROD.,67,463(2004)
Literature Reference DOI 10.1021/np0303761
Molecular Weight 336.388 g/mol
Solvent CD3OD
Source File Reference UWKP4171