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3,5-dichloro-N-[(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]-1H-pyrrole-2-carboxamide
SpectraBase Compound ID 2yYAUtgaF7S
InChI InChI=1S/C12H16Cl2N2O4/c1-5-10(7(17)4-9(19-2)20-5)16-12(18)11-6(13)3-8(14)15-11/h3,5,7,9-10,15,17H,4H2,1-2H3,(H,16,18)/t5-,7-,9+,10-/m1/s1
InChIKey PGVYMKYGWQTPNF-MCOJJJQWSA-N
Mol Weight 323.18 g/mol
Molecular Formula C12H16Cl2N2O4
Exact Mass 322.048712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ubdYzb6XZ3
Name 3,5-dichloro-N-[(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]-1H-pyrrole-2-carboxamide
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16Cl2N2O4
InChI InChI=1S/C12H16Cl2N2O4/c1-5-10(7(17)4-9(19-2)20-5)16-12(18)11-6(13)3-8(14)15-11/h3,5,7,9-10,15,17H,4H2,1-2H3,(H,16,18)/t5-,7-,9+,10-/m1/s1
InChIKey PGVYMKYGWQTPNF-MCOJJJQWSA-N
Literature Reference Author C.MAZZETTI,M.ORNAGHI,E.DASPARI,S.PARAPINI,S.MAFFIOLI,M.SOSIO ,S.DONADIO
Literature Reference Citation J.NAT.PROD.,75,1044(2012)
Literature Reference DOI 10.1021/np300003n
Molecular Weight 323.176 g/mol
Sample ID 41076
Solvent CDCl3