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(5AR,6R,9S,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-6-(1-METHYLETHYL)-1-OXOSPIRO-(2-BENZOXEPIN-9,2')-OXIRANE-4-CARBOXYLIC-ACID;HEPTELIDIC-ACID

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(5AR,6R,9S,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-6-(1-METHYLETHYL)-1-OXOSPIRO-(2-BENZOXEPIN-9,2')-OXIRANE-4-CARBOXYLIC-ACID;HEPTELIDIC-ACID
SpectraBase Compound ID Hl5ZqSagLka
InChI InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKey JESMSCGUTIEROV-RTWAVKEYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26ZlRT4wpGV
Name (5AR,6R,9S,9AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-6-(1-METHYLETHYL)-1-OXOSPIRO-(2-BENZOXEPIN-9,2')-OXIRANE-4-CARBOXYLIC-ACID;HEPTELIDIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKey JESMSCGUTIEROV-RTWAVKEYSA-N
Literature Reference Author G.RIEHS,E.URBAN
Literature Reference Citation MH.CHEM.,128,281(1997)
Literature Reference DOI 10.1007/BF00807894
Molecular Weight 280.321 g/mol
Solvent CDCl3
Source File Reference UWCS15968