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acetic acid, ester with 8,9-dihydro-6-hydroxy-7h-cyclohepta[f]-1,3-benzodioxole-5-carbonitrile
SpectraBase Compound ID 9g83ShwXUFb
InChI InChI=1S/C15H13NO4/c1-9(17)20-13-4-2-3-10-5-14-15(19-8-18-14)6-11(10)12(13)7-16/h5-6H,2-4,8H2,1H3
InChIKey WYZIHZUVYBTOSZ-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAgjREwoKUZ
Name acetic acid, ester with 8,9-dihydro-6-hydroxy-7h-cyclohepta[f]-1,3-benzodioxole-5-carbonitrile
Source of Sample R. Dran & T. Prange, Laboratorie De Chimie Organique Ii, Paris, France
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c1-9(17)20-13-4-2-3-10-5-14-15(19-8-18-14)6-11(10)12(13)7-16/h5-6H,2-4,8H2,1H3
InChIKey WYZIHZUVYBTOSZ-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference Abstract-Chemical Abstracts= 69, 18804(1968)
Sadtler NMR Number 7742M
Solvent CDCl3
Synonyms ACETIC ACID, ESTER WITH 8,9- DIHYDRO-6-HYDROXY-7H-CYCLOHEPTA/F/-1,3- BENZODIOXOLE-5-CARBONITRILE 7H-CYCLOHEPTA/F/-1,3-BENZODIOXOLE-5- CARBONITRILE, 8,9-DIHYDRO-6-HYDROXY-, ACETATE