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cis-3-Phenyl-cyclohexa(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester

View entire compound with spectra: 2 NMR

cis-3-Phenyl-cyclohexa(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
SpectraBase Compound ID E3Zir7o3DVA
InChI InChI=1S/C17H21NO2S/c1-20-17(19)16-15(12-7-3-2-4-8-12)18-11-13-9-5-6-10-14(13)21-16/h2-4,7-8,13-14,18H,5-6,9-11H2,1H3
InChIKey RLDQNCAYRFIRJI-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C17H21NO2S
Exact Mass 303.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EnnzmiBo55
Name trans-3-Phenyl-cyclohexa(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
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Formula C17H21NO2S
InChI InChI=1S/C17H21NO2S/c1-20-17(19)16-15(12-7-3-2-4-8-12)18-11-13-9-5-6-10-14(13)21-16/h2-4,7-8,13-14,18H,5-6,9-11H2,1H3
InChIKey RLDQNCAYRFIRJI-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Sohar, K. Ujszaszy, J. Szabo, Magn. Res. Chem. 29, 928 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3