John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3Jk0gTKzrph SpectraBase Spectrum ID=1IjFAVmL0Jx

(accessed ).
(+/-)-4-NITROBENZYL-(2S*,5R*)-3-METHYLSULFANYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLATE
SpectraBase Compound ID 3Jk0gTKzrph
InChI InChI=1S/C14H14N2O5S2/c1-22-14-12(15-10(17)6-11(15)23-14)13(18)21-7-8-2-4-9(5-3-8)16(19)20/h2-5,11-12,14H,6-7H2,1H3/t11-,12+,14+/m1/s1
InChIKey JBRWDXLJKQXDAS-DYEKYZERSA-N
Mol Weight 354.4 g/mol
Molecular Formula C14H14N2O5S2
Exact Mass 354.034415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IjFAVmL0Jx
Name (+/-)-4-NITROBENZYL-(2S*,5R*)-3-METHYLSULFANYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLATE
Compound Number 11A-EXO
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N2O5S2
InChI InChI=1S/C14H14N2O5S2/c1-22-14-12(15-10(17)6-11(15)23-14)13(18)21-7-8-2-4-9(5-3-8)16(19)20/h2-5,11-12,14H,6-7H2,1H3/t11-,12+,14+/m1/s1
InChIKey JBRWDXLJKQXDAS-DYEKYZERSA-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 354.396 g/mol
Sample ID 34606
Solvent CDCl3
SpectraBase Batch ID 96zOTvVFjsg