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

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Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester
SpectraBase Compound ID oL01s6i65d
InChI InChI=1S/C20H22ClNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)
InChIKey UYNUQGFBXGCGIM-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 D1bx7sbbWmm
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.128821269 u
Formula C20H22ClNO3
InChI InChI=1S/C20H22ClNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)
InChIKey UYNUQGFBXGCGIM-UHFFFAOYSA-N
Molecular Weight 359.853 g/mol
SMILES C1(=CC(=CC=C1)C(NC1=CC=CC=C1Cl)=O)C(OCCCC(C)C)=O