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(5AS,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-4-ACETOXYMETHYL-9-METHYLEN-2-BENZOXEPIN-1-ONE
SpectraBase Compound ID 5XjVT1yghM3
InChI InChI=1S/C14H18O4/c1-9-4-3-5-12-6-11(7-17-10(2)15)8-18-14(16)13(9)12/h6,12-13H,1,3-5,7-8H2,2H3/t12-,13+/m1/s1
InChIKey IZUVKCFEMUJUHP-OLZOCXBDSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcKmhQBifWU
Name (5AS,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-4-ACETOXYMETHYL-9-METHYLEN-2-BENZOXEPIN-1-ONE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9-4-3-5-12-6-11(7-17-10(2)15)8-18-14(16)13(9)12/h6,12-13H,1,3-5,7-8H2,2H3/t12-,13+/m1/s1
InChIKey IZUVKCFEMUJUHP-OLZOCXBDSA-N
Literature Reference Author M.KRENN,E.URBAN
Literature Reference Citation MH.CHEM.,133,127(2002)
Literature Reference DOI 10.1007/s706-002-8242-9
Molecular Weight 250.295 g/mol
Solvent CDCl3
Source File Reference UWKP5063