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

View entire compound with spectra: 1 NMR

Adipic acid, monoamide, N-(2-chlorophenyl)-, pentyl ester
SpectraBase Compound ID 9DPLeQS2xYR
InChI InChI=1S/C17H24ClNO3/c1-2-3-8-13-22-17(21)12-7-6-11-16(20)19-15-10-5-4-9-14(15)18/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,19,20)
InChIKey KXWAYMOAJFRWPA-UHFFFAOYSA-N
Mol Weight 325.84 g/mol
Molecular Formula C17H24ClNO3
Exact Mass 325.144471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HtnEjWJAB3
Name Adipic acid, monoamide, N-(2-chlorophenyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 325.144471334 u
Formula C17H24ClNO3
InChI InChI=1S/C17H24ClNO3/c1-2-3-8-13-22-17(21)12-7-6-11-16(20)19-15-10-5-4-9-14(15)18/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,19,20)
InChIKey KXWAYMOAJFRWPA-UHFFFAOYSA-N
Molecular Weight 325.836 g/mol
SMILES C(CCCC(=O)NC=1C=CC=CC1Cl)C(OCCCCC)=O