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4-OXO-CYCLOHEPT-2-EN-1-YL-ACETATE

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4-OXO-CYCLOHEPT-2-EN-1-YL-ACETATE
SpectraBase Compound ID AgaDctBDAIG
InChI InChI=1S/C9H12O3/c1-7(10)12-9-4-2-3-8(11)5-6-9/h5-6,9H,2-4H2,1H3
InChIKey ZFWYCZGZDRGOKW-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LUa8NP4NY3
Name 4-OXO-CYCLOHEPT-2-EN-1-YL-ACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-7(10)12-9-4-2-3-8(11)5-6-9/h5-6,9H,2-4H2,1H3
InChIKey ZFWYCZGZDRGOKW-UHFFFAOYSA-N
Literature Reference Author J.B.COTE,T.D.QUACH,A.P.DEMENEV,D.S.GARVEY,J.M.BERMAN
Literature Reference Citation INT.J.MED.CH.,2011,826792(2011)
Molecular Weight 168.192 g/mol
Solvent CDCl3
Source File Reference UWLU976502