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(+/-)-TRANS-2-CHLOROACETOXY-1-BENZYLOXY-1,2-DIHYDROACRONYCINE
SpectraBase Compound ID DzDNnpb9cdw
InChI InChI=1S/C29H28ClNO6/c1-29(2)28(36-22(32)15-30)27(35-16-17-10-6-5-7-11-17)24-21(37-29)14-20(34-4)23-25(24)31(3)19-13-9-8-12-18(19)26(23)33/h5-14,27-28H,15-16H2,1-4H3/t27-,28+/m1/s1
InChIKey LMQDVHZZJVRWEP-IZLXSDGUSA-N
Mol Weight 522.0 g/mol
Molecular Formula C29H28ClNO6
Exact Mass 521.160515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RIyEGexNLz
Name (+/-)-TRANS-2-CHLOROACETOXY-1-BENZYLOXY-1,2-DIHYDROACRONYCINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28ClNO6
InChI InChI=1S/C29H28ClNO6/c1-29(2)28(36-22(32)15-30)27(35-16-17-10-6-5-7-11-17)24-21(37-29)14-20(34-4)23-25(24)31(3)19-13-9-8-12-18(19)26(23)33/h5-14,27-28H,15-16H2,1-4H3/t27-,28+/m1/s1
InChIKey LMQDVHZZJVRWEP-IZLXSDGUSA-N
Literature Reference Author P.MAGIATIS,S.MITAKU,A.L.SKALTSOUNIS,F.TILLEQUIN,M.KOCH,A.PIE RRE,G.ATASSI
Literature Reference Citation CHEM.PHARM.BULL.,47,611(1999)
Literature Reference DOI 10.1248/cpb.47.611
Molecular Weight 521.997 g/mol
Solvent CDCl3
Source File Reference UWLU7973