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(5SR,5ARS,11ARS,11BSR)-5-BROMODECAHYDRO-1H-OXEPINO-[3',4':4,5]-ISOXAZOLO-[2,3-A]-PYRIDIN-1-ONE,(TRANS-INVERTOMER)
SpectraBase Compound ID FCgu52mEWSc
InChI InChI=1S/C11H16BrNO3/c12-7-4-6-15-11(14)9-8-3-1-2-5-13(8)16-10(7)9/h7-10H,1-6H2/t7-,8+,9+,10+/m0/s1
InChIKey IYSQLOPQEYSCQU-SGIHWFKDSA-N
Mol Weight 290.16 g/mol
Molecular Formula C11H16BrNO3
Exact Mass 289.031356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AseC4k6ALMp
Name (5SR,5ARS,11ARS,11BSR)-5-BROMODECAHYDRO-1H-OXEPINO-[3',4':4,5]-ISOXAZOLO-[2,3-A]-PYRIDIN-1-ONE,(TRANS-INVERTOMER)
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16BrNO3
InChI InChI=1S/C11H16BrNO3/c12-7-4-6-15-11(14)9-8-3-1-2-5-13(8)16-10(7)9/h7-10H,1-6H2/t7-,8+,9+,10+/m0/s1
InChIKey IYSQLOPQEYSCQU-SGIHWFKDSA-N
Literature Reference Author F.BUSQUE,P.CID,P.DEMARCH,M.FIGUEREDO,J.FONT
Literature Reference Citation HETEROCYCLES,40,387(1995)
Literature Reference DOI 10.3987/COM-94-S49
Molecular Weight 290.157 g/mol
Solvent ACETONE-D6
Source File Reference UWCP2880