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Adipic acid, monoamide, N-(2-chlorophenyl)-, nonyl ester

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Adipic acid, monoamide, N-(2-chlorophenyl)-, nonyl ester
SpectraBase Compound ID GzASVV79BrP
InChI InChI=1S/C21H32ClNO3/c1-2-3-4-5-6-7-12-17-26-21(25)16-11-10-15-20(24)23-19-14-9-8-13-18(19)22/h8-9,13-14H,2-7,10-12,15-17H2,1H3,(H,23,24)
InChIKey JTBZMOKNBXCRFZ-UHFFFAOYSA-N
Mol Weight 381.9 g/mol
Molecular Formula C21H32ClNO3
Exact Mass 381.207072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1F4OZFQqpH4
Name Adipic acid, monoamide, N-(2-chlorophenyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.207071591 u
Formula C21H32ClNO3
InChI InChI=1S/C21H32ClNO3/c1-2-3-4-5-6-7-12-17-26-21(25)16-11-10-15-20(24)23-19-14-9-8-13-18(19)22/h8-9,13-14H,2-7,10-12,15-17H2,1H3,(H,23,24)
InChIKey JTBZMOKNBXCRFZ-UHFFFAOYSA-N
Molecular Weight 381.944 g/mol
SMILES C(CCCC(=O)NC1=CC=CC=C1Cl)C(OCCCCCCCCC)=O