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

View entire compound with spectra: 1 NMR

Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, hexyl ester
SpectraBase Compound ID 1rWMZuXCTgA
InChI InChI=1S/C20H24ClNO3S/c1-2-3-4-7-12-25-20(24)19(23)22(15-17-10-8-13-26-17)14-16-9-5-6-11-18(16)21/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3
InChIKey YBNJFMIVQJQORE-UHFFFAOYSA-N
Mol Weight 393.93 g/mol
Molecular Formula C20H24ClNO3S
Exact Mass 393.116543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mAYQGWUOLc
Name Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.116542508 u
Formula C20H24ClNO3S
InChI InChI=1S/C20H24ClNO3S/c1-2-3-4-7-12-25-20(24)19(23)22(15-17-10-8-13-26-17)14-16-9-5-6-11-18(16)21/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3
InChIKey YBNJFMIVQJQORE-UHFFFAOYSA-N
Molecular Weight 393.929 g/mol
SMILES C(C(OCCCCCC)=O)(=O)N(CC=1SC=CC1)CC1=CC=CC=C1Cl