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

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Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester
SpectraBase Compound ID CKL0ri1Wi0T
InChI InChI=1S/C22H26ClNO3/c1-2-3-4-5-6-9-15-27-22(26)18-12-10-11-17(16-18)21(25)24-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3,(H,24,25)
InChIKey YETKWBVQCDLZOT-UHFFFAOYSA-N
Mol Weight 387.91 g/mol
Molecular Formula C22H26ClNO3
Exact Mass 387.160121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ek04QUsiQ8X
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 387.160121398 u
Formula C22H26ClNO3
InChI InChI=1S/C22H26ClNO3/c1-2-3-4-5-6-9-15-27-22(26)18-12-10-11-17(16-18)21(25)24-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3,(H,24,25)
InChIKey YETKWBVQCDLZOT-UHFFFAOYSA-N
Molecular Weight 387.907 g/mol
SMILES C1(=CC(=CC=C1)C(NC1=CC=CC=C1Cl)=O)C(OCCCCCCCC)=O