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5-tert-butyl-3-{2-[(p-chlorobenzyl)thio]acetamido}-2-thiophenecarboxamide

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5-tert-butyl-3-{2-[(p-chlorobenzyl)thio]acetamido}-2-thiophenecarboxamide
SpectraBase Compound ID 4RzbXwNRzd8
InChI InChI=1S/C18H21ClN2O2S2/c1-18(2,3)14-8-13(16(25-14)17(20)23)21-15(22)10-24-9-11-4-6-12(19)7-5-11/h4-8H,9-10H2,1-3H3,(H2,20,23)(H,21,22)
InChIKey GRXUMAGRVWWMQW-UHFFFAOYSA-N
Mol Weight 396.95 g/mol
Molecular Formula C18H21ClN2O2S2
Exact Mass 396.073298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKZswl2dOMy
Name 5-tert-BUTYL-3-{2-[(p-CHLOROBENZYL)THIO]ACETAMIDO}-2-THIOPHENECARBOXAMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN2O2S2
InChI InChI=1S/C18H21ClN2O2S2/c1-18(2,3)14-8-13(16(25-14)17(20)23)21-15(22)10-24-9-11-4-6-12(19)7-5-11/h4-8H,9-10H2,1-3H3,(H2,20,23)(H,21,22)
InChIKey GRXUMAGRVWWMQW-UHFFFAOYSA-N
Melting Point 153-155C
Molecular Weight 396.96
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXAMIDE, 5-tert-BUTYL-3-{2-[(p-CHLOROBENZYL)THIO]ACETAMIDO}-,