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4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID

View entire compound with spectra: 2 NMR

4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID
SpectraBase Compound ID ARstGMg0x0e
InChI InChI=1S/C14H19BrFNO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10?,14-/m0/s1
InChIKey LHASAENKRDGQAV-FDLHOSMJSA-N
Mol Weight 412.27 g/mol
Molecular Formula C14H19BrFNO5S
Exact Mass 411.015135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fuzVmFMoUM
Name 4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID,6-BROMO-6-FLUORO-3,3-DIMETHYL-7-OXO-(2,2-DIMETHYL-1-OXOPROPOXY)-METHYLESTER,[2S-(2-ALPHA,5-ALPHA,6-BETA)]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19BrFNO5S
InChI InChI=1S/C14H19BrFNO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10?,14-/m0/s1
InChIKey LHASAENKRDGQAV-FDLHOSMJSA-N
Literature Reference Author E.G.MATA,E.L.SETTI,O.A.MASCARETTI
Literature Reference Citation J.ORG.CHEM.,55,3674(1990)
Literature Reference DOI 10.1021/jo00298a059
Molecular Weight 412.271 g/mol
Solvent CDCl3
Source File Reference UWED9966