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QHYIYHOYXQCHRE-KTXXARAVSA-N
SpectraBase Compound ID 28YBXzRMG1u
InChI InChI=1S/C24H31ClN2O6/c1-12(7-21-27-10-19(32-21)15-4-5-20(25)26-9-15)6-17-23(30)22(29)16(11-31-17)8-18-24(33-18)13(2)14(3)28/h4-5,7,9-10,13-14,16-18,22-24,28-30H,6,8,11H2,1-3H3/b12-7+/t13-,14+,16-,17-,18+,22+,23-,24-/m1/s1
InChIKey QHYIYHOYXQCHRE-KTXXARAVSA-N
Mol Weight 478.97 g/mol
Molecular Formula C24H31ClN2O6
Exact Mass 478.187064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GNwQgxlirj
Name QHYIYHOYXQCHRE-KTXXARAVSA-N
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31ClN2O6
InChI InChI=1S/C24H31ClN2O6/c1-12(7-21-27-10-19(32-21)15-4-5-20(25)26-9-15)6-17-23(30)22(29)16(11-31-17)8-18-24(33-18)13(2)14(3)28/h4-5,7,9-10,13-14,16-18,22-24,28-30H,6,8,11H2,1-3H3/b12-7+/t13-,14+,16-,17-,18+,22+,23-,24-/m1/s1
InChIKey QHYIYHOYXQCHRE-KTXXARAVSA-N
Literature Reference Author N.J.P.BROOM,J.S.ELDER,P.C.T.HANNAN,J.E.PONS,P.J.O'HANLON,G.W ALKER,J.WILSON,P.WOO
Literature Reference Citation J.ANTIBIOTICS,48,1336(1995)
Literature Reference DOI 10.7164/antibiotics.48.1336
Molecular Weight 478.973 g/mol
Solvent CDCl3
Source File Reference UWCS24622