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Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, decyl ester
SpectraBase Compound ID AFiNyXLDgld
InChI InChI=1S/C22H34ClNO4/c1-3-4-5-6-7-8-9-10-16-28-22(26)13-11-12-21(25)24-19-17-18(23)14-15-20(19)27-2/h14-15,17H,3-13,16H2,1-2H3,(H,24,25)
InChIKey SSSUPUUNJWNTKP-UHFFFAOYSA-N
Mol Weight 412.0 g/mol
Molecular Formula C22H34ClNO4
Exact Mass 411.217636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bPjeLX5nLC
Name Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.217636275 u
Formula C22H34ClNO4
InChI InChI=1S/C22H34ClNO4/c1-3-4-5-6-7-8-9-10-16-28-22(26)13-11-12-21(25)24-19-17-18(23)14-15-20(19)27-2/h14-15,17H,3-13,16H2,1-2H3,(H,24,25)
InChIKey SSSUPUUNJWNTKP-UHFFFAOYSA-N
Molecular Weight 411.970 g/mol
SMILES CCCCCCCCCCOC(CCCC(NC1=CC(=CC=C1OC)Cl)=O)=O