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4'-bromo-2'-chlorohexahydrothio-1H-azepine-1-carboxanilide
SpectraBase Compound ID LFXnzNimibi
InChI InChI=1S/C13H16BrClN2S/c14-10-5-6-12(11(15)9-10)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)
InChIKey NXLJBTBBOPPQPV-UHFFFAOYSA-N
Mol Weight 347.7 g/mol
Molecular Formula C13H16BrClN2S
Exact Mass 345.99061 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlJ1KwfdMjy
Name 4'-BROMO-2'-CHLOROHEXAHYDROTHIO-1H-AZEPINE-1-CARBOXANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrClN2S
InChI InChI=1S/C13H16BrClN2S/c14-10-5-6-12(11(15)9-10)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)
InChIKey NXLJBTBBOPPQPV-UHFFFAOYSA-N
Melting Point 101C
Molecular Weight 347.71
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1H-AZEPINE-1-CARBOXANILIDE, 4'-BROMO- 2'-CHLOROHEXAHYDROTHIO-,