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4'-bromohexahydrothio-1H-azepine-1-carboxy-o-toluidide
SpectraBase Compound ID 2KrXas5rk5a
InChI InChI=1S/C14H19BrN2S/c1-11-10-12(15)6-7-13(11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKey AKFUEFOYPKULKN-UHFFFAOYSA-N
Mol Weight 327.28 g/mol
Molecular Formula C14H19BrN2S
Exact Mass 326.045233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKtdMcw8ddg
Name 4'-BROMOHEXAHYDROTHIO-1H-AZEPINE-1-CARBOXY-o-TOLUIDIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19BrN2S
InChI InChI=1S/C14H19BrN2S/c1-11-10-12(15)6-7-13(11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKey AKFUEFOYPKULKN-UHFFFAOYSA-N
Melting Point 146-147C
Molecular Weight 327.29
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1H-AZEPINE-1-CARBOXY-O-TOLUIDIDE, 4'-BROMOHEXAHYDROTHIO-,