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

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
SpectraBase Compound ID 6rs773LOdQg
InChI InChI=1S/C20H22ClNO3/c1-2-3-4-7-13-25-20(24)16-10-8-9-15(14-16)19(23)22-18-12-6-5-11-17(18)21/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,22,23)
InChIKey CTRWIWVPKFVJRK-UHFFFAOYSA-N
Mol Weight 359.85 g/mol
Molecular Formula C20H22ClNO3
Exact Mass 359.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mX1JTTxJG2
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.128821269 u
Formula C20H22ClNO3
InChI InChI=1S/C20H22ClNO3/c1-2-3-4-7-13-25-20(24)16-10-8-9-15(14-16)19(23)22-18-12-6-5-11-17(18)21/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,22,23)
InChIKey CTRWIWVPKFVJRK-UHFFFAOYSA-N
Molecular Weight 359.853 g/mol
SMILES C1(=CC(=CC=C1)C(NC1=CC=CC=C1Cl)=O)C(OCCCCCC)=O