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

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, pentyl ester
SpectraBase Compound ID B4nr9V1uxFl
InChI InChI=1S/C19H20ClNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)
InChIKey KKFSEOBLEPTCEJ-UHFFFAOYSA-N
Mol Weight 345.83 g/mol
Molecular Formula C19H20ClNO3
Exact Mass 345.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoboXdMpCUC
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.113171205 u
Formula C19H20ClNO3
InChI InChI=1S/C19H20ClNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)
InChIKey KKFSEOBLEPTCEJ-UHFFFAOYSA-N
Molecular Weight 345.826 g/mol
SMILES C1(=CC(=CC=C1)C(NC1=CC=CC=C1Cl)=O)C(OCCCCC)=O