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(5RS,5ARS,11ASR,11BSR)-5-ACETYLTHIODECAHYDRO-1H-OXEPINO-[3',4':4,5]-ISOXAZOLO-[2,3-A]-PYRIDIN-1-ONE,(TRANS-INVERTOMER)
SpectraBase Compound ID DOwV0tY5seE
InChI InChI=1S/C13H19NO4S/c1-8(15)19-10-5-7-17-13(16)11-9-4-2-3-6-14(9)18-12(10)11/h9-12H,2-7H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKey SJNCMSXFYUOKTG-WRWGMCAJSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPUENFlNN10
Name (5RS,5ARS,11ASR,11BSR)-5-ACETYLTHIODECAHYDRO-1H-OXEPINO-[3',4':4,5]-ISOXAZOLO-[2,3-A]-PYRIDIN-1-ONE,(TRANS-INVERTOMER)
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-8(15)19-10-5-7-17-13(16)11-9-4-2-3-6-14(9)18-12(10)11/h9-12H,2-7H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKey SJNCMSXFYUOKTG-WRWGMCAJSA-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 285.358 g/mol
Solvent ACETONE-D6
Source File Reference UWCP2883