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(+/-)-4-NITROBENZYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPT-2-ENE-2-CARBOXYLATE

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(+/-)-4-NITROBENZYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPT-2-ENE-2-CARBOXYLATE
SpectraBase Compound ID Akjp0WexAAT
InChI InChI=1S/C13H10N2O5S/c16-11-5-12-14(11)10(7-21-12)13(17)20-6-8-1-3-9(4-2-8)15(18)19/h1-4,7,12H,5-6H2/t12-/m1/s1
InChIKey HQSALZXYECZTSC-GFCCVEGCSA-N
Mol Weight 306.29 g/mol
Molecular Formula C13H10N2O5S
Exact Mass 306.031043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7I6gTi991Oy
Name (+/-)-4-NITROBENZYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]-HEPT-2-ENE-2-CARBOXYLATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10N2O5S
InChI InChI=1S/C13H10N2O5S/c16-11-5-12-14(11)10(7-21-12)13(17)20-6-8-1-3-9(4-2-8)15(18)19/h1-4,7,12H,5-6H2/t12-/m1/s1
InChIKey HQSALZXYECZTSC-GFCCVEGCSA-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 306.293 g/mol
Sample ID 34612
Solvent CDCl3