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METHYL-(3S,7AS)-3-TERT.-BUTYL-7-[(1R)-1-HYDROXYBUTYL]-5-OXO-1H-PYRROLO-[1,2-C]-[1,3]-OXAZOLE-7A-(5H)-CARBOXYLATE
SpectraBase Compound ID 4ZqHG1d9D1Z
InChI InChI=1S/C16H25NO5/c1-6-7-11(18)10-8-12(19)17-13(15(2,3)4)22-9-16(10,17)14(20)21-5/h8,11,13,18H,6-7,9H2,1-5H3/t11-,13-,16-/m0/s1
InChIKey IGTSSZCDYRMBNT-RBOXIYTFSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92cxoEzXXhY
Name METHYL-(3S,7AS)-3-TERT.-BUTYL-7-[(1R)-1-HYDROXYBUTYL]-5-OXO-1H-PYRROLO-[1,2-C]-[1,3]-OXAZOLE-7A-(5H)-CARBOXYLATE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-6-7-11(18)10-8-12(19)17-13(15(2,3)4)22-9-16(10,17)14(20)21-5/h8,11,13,18H,6-7,9H2,1-5H3/t11-,13-,16-/m0/s1
InChIKey IGTSSZCDYRMBNT-RBOXIYTFSA-N
Literature Reference Author J.P.N.PAPILLON,R.J.K.TAYLOR
Literature Reference Citation ORG.LETTERS,4,119(2002)
Literature Reference DOI 10.1021/ol016986e
Molecular Weight 311.378 g/mol
Sample ID 27434
Solvent CDCl3