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

View entire compound with spectra: 1 NMR

Adipic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
SpectraBase Compound ID JPgFFfO1VxI
InChI InChI=1S/C18H26ClNO3/c1-2-3-4-9-14-23-18(22)13-8-7-12-17(21)20-16-11-6-5-10-15(16)19/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,20,21)
InChIKey KLMURWZHICGBFK-UHFFFAOYSA-N
Mol Weight 339.86 g/mol
Molecular Formula C18H26ClNO3
Exact Mass 339.160121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86u0dYoRX6p
Name Adipic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.160121398 u
Formula C18H26ClNO3
InChI InChI=1S/C18H26ClNO3/c1-2-3-4-9-14-23-18(22)13-8-7-12-17(21)20-16-11-6-5-10-15(16)19/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,20,21)
InChIKey KLMURWZHICGBFK-UHFFFAOYSA-N
Molecular Weight 339.863 g/mol
SMILES C(CCCCC(=O)NC1=CC=CC=C1Cl)(OCCCCCC)=O