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3-(3-Chloro-benzylidene)-2,4-pentanedione

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3-(3-Chloro-benzylidene)-2,4-pentanedione
SpectraBase Compound ID 4IKB7TAgLce
InChI InChI=1S/C12H11ClO2/c1-8(14)12(9(2)15)7-10-4-3-5-11(13)6-10/h3-7H,1-2H3
InChIKey MXUHWQIVJPLIGF-UHFFFAOYSA-N
Mol Weight 222.67 g/mol
Molecular Formula C12H11ClO2
Exact Mass 222.044757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aJsXQzpOQI
Name 3-(3-Chloro-benzylidene)-2,4-pentanedione
CAS Registry Number 15725-15-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11ClO2
InChI InChI=1S/C12H11ClO2/c1-8(14)12(9(2)15)7-10-4-3-5-11(13)6-10/h3-7H,1-2H3
InChIKey MXUHWQIVJPLIGF-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E. Solcaniova, P. Hrnciar, T. Liptaj, Org. Magn. Resonance 18, 55 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3