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Methyl 2-cyano-2-(3,4-dimethoxyphenyl)-3-phenylpropionate

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

Methyl 2-cyano-2-(3,4-dimethoxyphenyl)-3-phenylpropionate
SpectraBase Compound ID IntZytmkUAc
InChI InChI=1S/C19H19NO4/c1-22-16-10-9-15(11-17(16)23-2)19(13-20,18(21)24-3)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKey CLPZAUNVVJMFAY-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FP0SKDMTT45
Name Methyl 2-cyano-2-(3,4-dimethoxyphenyl)-3-phenylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.131408092 u
Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-22-16-10-9-15(11-17(16)23-2)19(13-20,18(21)24-3)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKey CLPZAUNVVJMFAY-UHFFFAOYSA-N
Molecular Weight 325.364 g/mol
SMILES C(C(CC1=CC=CC=C1)(C1=CC(=C(C=C1)OC)OC)C#N)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921142