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Methyl 2-(4-chlorobenzamido)-4,5-dimethoxybenzoate

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

Methyl 2-(4-chlorobenzamido)-4,5-dimethoxybenzoate
SpectraBase Compound ID LlWnUlhzn26
InChI InChI=1S/C17H16ClNO5/c1-22-14-8-12(17(21)24-3)13(9-15(14)23-2)19-16(20)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKey NPRKKMXTTOQQRW-UHFFFAOYSA-N
Mol Weight 349.77 g/mol
Molecular Formula C17H16ClNO5
Exact Mass 349.0717 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mGWXTrtb5k
Name Methyl 2-(4-chlorobenzamido)-4,5-dimethoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.071700314 u
Formula C17H16ClNO5
InChI InChI=1S/C17H16ClNO5/c1-22-14-8-12(17(21)24-3)13(9-15(14)23-2)19-16(20)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKey NPRKKMXTTOQQRW-UHFFFAOYSA-N
Molecular Weight 349.770 g/mol
SMILES C1(=CC(=C(C=C1OC)C(OC)=O)NC(=O)C1=CC=C(C=C1)Cl)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96131