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Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester

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

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester
SpectraBase Compound ID A1PMCWP3XJC
InChI InChI=1S/C17H16ClNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKey JPUUSDPKYMEQIU-UHFFFAOYSA-N
Mol Weight 317.77 g/mol
Molecular Formula C17H16ClNO3
Exact Mass 317.081871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CBrbgKP4CLv
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.081871076 u
Formula C17H16ClNO3
InChI InChI=1S/C17H16ClNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKey JPUUSDPKYMEQIU-UHFFFAOYSA-N
Molecular Weight 317.772 g/mol
SMILES C1(=CC(=CC=C1)C(NC=1C=CC=CC1Cl)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809497