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(5AS,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-9-METHYLEN-1-OXO-2-BENZOXEPIN-4-CARBALDEHYDE
SpectraBase Compound ID IpEkYWFLIi3
InChI InChI=1S/C12H14O3/c1-8-3-2-4-10-5-9(6-13)7-15-12(14)11(8)10/h5-6,10-11H,1-4,7H2/t10-,11+/m1/s1
InChIKey LFAZDCKHAQLPLJ-MNOVXSKESA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22dj2jHl7Ma
Name (5AS,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-9-METHYLEN-1-OXO-2-BENZOXEPIN-4-CARBALDEHYDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-3-2-4-10-5-9(6-13)7-15-12(14)11(8)10/h5-6,10-11H,1-4,7H2/t10-,11+/m1/s1
InChIKey LFAZDCKHAQLPLJ-MNOVXSKESA-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 206.241 g/mol
Solvent CDCl3
Source File Reference UWKP5064