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Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, octyl ester

View entire compound with spectra: 1 NMR

Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, octyl ester
SpectraBase Compound ID DZGMjsWsmO4
InChI InChI=1S/C22H28ClNO3S/c1-2-3-4-5-6-9-14-27-22(26)21(25)24(17-19-12-10-15-28-19)16-18-11-7-8-13-20(18)23/h7-8,10-13,15H,2-6,9,14,16-17H2,1H3
InChIKey JKLFXVKXIMZYCV-UHFFFAOYSA-N
Mol Weight 421.98 g/mol
Molecular Formula C22H28ClNO3S
Exact Mass 421.147843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Qge5VnnRpb
Name Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.147842637 u
Formula C22H28ClNO3S
InChI InChI=1S/C22H28ClNO3S/c1-2-3-4-5-6-9-14-27-22(26)21(25)24(17-19-12-10-15-28-19)16-18-11-7-8-13-20(18)23/h7-8,10-13,15H,2-6,9,14,16-17H2,1H3
InChIKey JKLFXVKXIMZYCV-UHFFFAOYSA-N
Molecular Weight 421.983 g/mol
SMILES C(C(OCCCCCCCC)=O)(=O)N(CC=1SC=CC1)CC1=CC=CC=C1Cl