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Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester
SpectraBase Compound ID 2qs4RmCzvpr
InChI InChI=1S/C17H17NO3/c1-3-21-17(20)14-8-5-7-13(11-14)16(19)18-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,18,19)
InChIKey LGSYMCXYGNBWMV-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EPMCGolx4Uv
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.120843408 u
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-3-21-17(20)14-8-5-7-13(11-14)16(19)18-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,18,19)
InChIKey LGSYMCXYGNBWMV-UHFFFAOYSA-N
SMILES C1(=CC=CC(=C1)C)NC(C1=CC(=CC=C1)C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933038