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4-bromobenzoic acid [(2R,3R,4R,6S)-3-[(3,5-dichloro1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester

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4-bromobenzoic acid [(2R,3R,4R,6S)-3-[(3,5-dichloro1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester
SpectraBase Compound ID EdlJcjJ8Gtb
InChI InChI=1S/C19H19BrCl2N2O5/c1-9-16(24-18(25)17-12(21)7-14(22)23-17)13(8-15(27-2)28-9)29-19(26)10-3-5-11(20)6-4-10/h3-7,9,13,15-16,23H,8H2,1-2H3,(H,24,25)/t9-,13-,15+,16-/m1/s1
InChIKey PXKPMJHVEIUGHR-LFIODWAZSA-N
Mol Weight 506.18 g/mol
Molecular Formula C19H19BrCl2N2O5
Exact Mass 503.98544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkGo7Jp7OlN
Name 4-bromobenzoic acid [(2R,3R,4R,6S)-3-[(3,5-dichloro1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19BrCl2N2O5
InChI InChI=1S/C19H19BrCl2N2O5/c1-9-16(24-18(25)17-12(21)7-14(22)23-17)13(8-15(27-2)28-9)29-19(26)10-3-5-11(20)6-4-10/h3-7,9,13,15-16,23H,8H2,1-2H3,(H,24,25)/t9-,13-,15+,16-/m1/s1
InChIKey PXKPMJHVEIUGHR-LFIODWAZSA-N
Literature Reference Author I.MOMOSE,S.HIROSAWA,H.NAKAMURA,H.NAGANAWA,H.IINUMA,D.IKEDA,T .TAKEUCHI
Literature Reference Citation J.ANTIBIOTICS,52,787(1999)
Literature Reference DOI 10.7164/antibiotics.52.787
Molecular Weight 506.180 g/mol
Solvent CDCl3
Source File Reference UWRU1035