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3-(4-Cyano-benzylidene)-2,4-pentanedione
SpectraBase Compound ID Hc3vhECHkw3
InChI InChI=1S/C13H11NO2/c1-9(15)13(10(2)16)7-11-3-5-12(8-14)6-4-11/h3-7H,1-2H3
InChIKey WMUQCKSADOZOCX-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBjNGy7uAES
Name 3-(4-Cyano-benzylidene)-2,4-pentanedione
CAS Registry Number 81764-99-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-9(15)13(10(2)16)7-11-3-5-12(8-14)6-4-11/h3-7H,1-2H3
InChIKey WMUQCKSADOZOCX-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