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NIGELLIDINE-4-O-SULFITE

View entire compound with spectra: 1 NMR

NIGELLIDINE-4-O-SULFITE
SpectraBase Compound ID A9sQYwBHkv8
InChI InChI=1S/C18H18N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23,24)
InChIKey PIIGHYPMPPFOCX-UHFFFAOYSA-N
Mol Weight 374.41 g/mol
Molecular Formula C18H18N2O5S
Exact Mass 374.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ju7df8myzjj
Name NIGELLIDINE-4-O-SULFITE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O5S
InChI InChI=1S/C18H18N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23,24)
InChIKey PIIGHYPMPPFOCX-UHFFFAOYSA-N
Literature Reference Author Z.ALI,D.FERREIRA,P.CARVALHO,M.A.AVERY,I.A.KHAN
Literature Reference Citation J.NAT.PROD.,71,1111(2008)
Literature Reference DOI 10.1021/np800172x
Molecular Weight 374.411 g/mol
Sample ID 28553
Solvent DMSO-D6