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Benzeneacetonitrile, .alpha.-(benzoyloxy)-3,4-dimethoxy-

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

Benzeneacetonitrile, .alpha.-(benzoyloxy)-3,4-dimethoxy-
SpectraBase Compound ID Ekrl4LurXtg
InChI InChI=1S/C17H15NO4/c1-20-14-9-8-13(10-15(14)21-2)16(11-18)22-17(19)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKey CWKXEIBRGDZRBA-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C17H15NO4
Exact Mass 297.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C7ShrZFDFIn
Name Benzeneacetonitrile, .alpha.-(benzoyloxy)-3,4-dimethoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.100107963 u
Formula C17H15NO4
InChI InChI=1S/C17H15NO4/c1-20-14-9-8-13(10-15(14)21-2)16(11-18)22-17(19)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKey CWKXEIBRGDZRBA-UHFFFAOYSA-N
SMILES C(OC(C=1C=C(OC)C(=CC1)OC)C#N)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955852