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

View entire compound with spectra: 1 NMR

Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, ethyl ester
SpectraBase Compound ID EJX3rp5NXLp
InChI InChI=1S/C16H16ClNO3S/c1-2-21-16(20)15(19)18(11-13-7-5-9-22-13)10-12-6-3-4-8-14(12)17/h3-9H,2,10-11H2,1H3
InChIKey BQCZBCLYAIYVHM-UHFFFAOYSA-N
Mol Weight 337.82 g/mol
Molecular Formula C16H16ClNO3S
Exact Mass 337.053942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWc6YY4r63T
Name Oxalic acid, monoamide, N-(2-chlorobenzyl)-N-(2-thienylmethyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.053942250 u
Formula C16H16ClNO3S
InChI InChI=1S/C16H16ClNO3S/c1-2-21-16(20)15(19)18(11-13-7-5-9-22-13)10-12-6-3-4-8-14(12)17/h3-9H,2,10-11H2,1H3
InChIKey BQCZBCLYAIYVHM-UHFFFAOYSA-N
Molecular Weight 337.821 g/mol
SMILES C(C(OCC)=O)(=O)N(CC1=CC=CS1)CC1=CC=CC=C1Cl