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3-Benzylidene-2,4-pentanedione

View entire compound with spectra: 12 NMR, 2 FTIR, and 2 MS (GC)

3-Benzylidene-2,4-pentanedione
SpectraBase Compound ID JmTYa2OCaXo
InChI InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey NYRGMNMVISROGJ-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID W27Z2FQrM
Name 3-(Phenyl-methylene)-2,4-pentadione
CAS Registry Number 4335-90-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey NYRGMNMVISROGJ-UHFFFAOYSA-N
Instrument Name Bruker AM-200
Literature Reference A.E. De Keijzer, L.H. Koole, H.M.Buck, J. Am. Chem. Soc. 110, 5995 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD2Cl2