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2-Cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-(4-hydroxy-phenyl)-propionic acid methyl ester

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

2-Cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-(4-hydroxy-phenyl)-propionic acid methyl ester
SpectraBase Compound ID BVn7VWRAzpA
InChI InChI=1S/C19H19NO5/c1-19(2)8-14(22)17(15(23)9-19)16(13(10-20)18(24)25-3)11-4-6-12(21)7-5-11/h4-7,13,21H,8-9H2,1-3H3
InChIKey LJIDEIIKTAZZTL-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6mMcwVEnVs5
Name benzenepropanoic acid, alpha-cyano-beta-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-hydroxy-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.126322711 u
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-19(2)8-14(22)17(15(23)9-19)16(13(10-20)18(24)25-3)11-4-6-12(21)7-5-11/h4-7,13,21H,8-9H2,1-3H3
InChIKey LJIDEIIKTAZZTL-UHFFFAOYSA-N
Molecular Weight 341.363 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17237
Solvent DMSO-d6
Source Vendor ID: NMR/10322229; Lab Info: DVD; Lab Number: DVD-0120058