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Methyl 4-Phenylacetoacetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 4 MS (GC)

Methyl 4-Phenylacetoacetate
SpectraBase Compound ID LihbappBQrU
InChI InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey DTMSEOVTDVSPDO-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pcgVywifIw
Name 3-Oxo-4-phenyl-butanoic acid, methyl ester
CAS Registry Number 37779-49-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey DTMSEOVTDVSPDO-UHFFFAOYSA-N
Literature Reference D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported