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REL-(3AR,5AR,6R,6AS,6BS)-2-OXO-3-TOSYL-3,3A,5A,6,6A,6B-HEXAHYDRO-2H-CYCLOPROPA-[3,4]-BENZO-[1,2-D]-[1,3]-OXAZOLE-7-ENDO-CARBONITRIL

View entire compound with spectra: 2 NMR

REL-(3AR,5AR,6R,6AS,6BS)-2-OXO-3-TOSYL-3,3A,5A,6,6A,6B-HEXAHYDRO-2H-CYCLOPROPA-[3,4]-BENZO-[1,2-D]-[1,3]-OXAZOLE-7-ENDO-CARBONITRIL
SpectraBase Compound ID 7aTQ6i7utDI
InChI InChI=1S/C16H14N2O4S/c1-9-2-4-10(5-3-9)23(20,21)18-13-7-6-11-12(8-17)14(11)15(13)22-16(18)19/h2-7,11-15H,1H3/t11-,12+,13+,14-,15+/m0/s1
InChIKey ZBKWASKLWQSVPN-VYDRJRHOSA-N
Mol Weight 330.36 g/mol
Molecular Formula C16H14N2O4S
Exact Mass 330.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xJM5QGj52b
Name REL-(3AR,5AR,6R,6AS,6BS)-2-OXO-3-TOSYL-3,3A,5A,6,6A,6B-HEXAHYDRO-2H-CYCLOPROPA-[3,4]-BENZO-[1,2-D]-[1,3]-OXAZOLE-7-EXO-CARBONITRIL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N2O4S
InChI InChI=1S/C16H14N2O4S/c1-9-2-4-10(5-3-9)23(20,21)18-13-7-6-11-12(8-17)14(11)15(13)22-16(18)19/h2-7,11-15H,1H3/t11-,12+,13+,14-,15+/m0/s1
InChIKey ZBKWASKLWQSVPN-VYDRJRHOSA-N
Literature Reference Author B.KILBAS,M.BALCI
Literature Reference Citation BEIL.J.ORG.CHEM.,7,246(2011)
Literature Reference DOI 10.3762/bjoc.7.33
Molecular Weight 330.358 g/mol
Solvent CDCl3
Source File Reference UWBT9704