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(+/-)-4-NITROBENZYL-(2S*,5R*)-3-(4-BROMOBENZYLSULFANYL)-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLATE
SpectraBase Compound ID DIroZmzwzP2
InChI InChI=1S/C20H17BrN2O5S2/c21-14-5-1-13(2-6-14)11-29-20-18(22-16(24)9-17(22)30-20)19(25)28-10-12-3-7-15(8-4-12)23(26)27/h1-8,17-18,20H,9-11H2/t17-,18+,20-/m1/s1
InChIKey IMQQEHZRRPKZHC-WSTZPKSXSA-N
Mol Weight 509.39 g/mol
Molecular Formula C20H17BrN2O5S2
Exact Mass 507.976227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1C52sAUh9cj
Name (+/-)-4-NITROBENZYL-(2S*,5R*)-3-(4-BROMOBENZYLSULFANYL)-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLATE
Compound Number 11B-ENDO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17BrN2O5S2
InChI InChI=1S/C20H17BrN2O5S2/c21-14-5-1-13(2-6-14)11-29-20-18(22-16(24)9-17(22)30-20)19(25)28-10-12-3-7-15(8-4-12)23(26)27/h1-8,17-18,20H,9-11H2/t17-,18+,20-/m1/s1
InChIKey IMQQEHZRRPKZHC-WSTZPKSXSA-N
Literature Reference Author S.SANCHEZ,J.H.BATESON,P.J.O.HANLON,T.GALLAGHER
Literature Reference Citation ORG.LETTERS,6,2781(2004)
Literature Reference DOI 10.1021/ol048991z
Molecular Weight 509.389 g/mol
Sample ID 34608
Solvent CDCl3