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3,4-dimethyl-2'-(hexahydro-1H-azepin-1-yl)thiocarbanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

3,4-dimethyl-2'-(hexahydro-1H-azepin-1-yl)thiocarbanilide
SpectraBase Compound ID Gb7deqlcRia
InChI InChI=1S/C21H27N3S/c1-16-11-12-18(15-17(16)2)22-21(25)23-19-9-5-6-10-20(19)24-13-7-3-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H2,22,23,25)
InChIKey FAQMKQLGWWDEHO-UHFFFAOYSA-N
Mol Weight 353.53 g/mol
Molecular Formula C21H27N3S
Exact Mass 353.192569 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8yJTw6Lno5a
Name 3,4-DIMETHYL-2'-(HEXAHYDRO-1H-AZEPIN-1-YL)THIOCARBANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3S
InChI InChI=1S/C21H27N3S/c1-16-11-12-18(15-17(16)2)22-21(25)23-19-9-5-6-10-20(19)24-13-7-3-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H2,22,23,25)
InChIKey FAQMKQLGWWDEHO-UHFFFAOYSA-N
Melting Point 161C
Molecular Weight 353.53
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CARBANILIDE, 3,4-DIMETHYL-2'-/HEXAHYDRO-1H-AZEPIN-1-YL/THIO-,