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

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cis-3-Phenyl-cyclohepta(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
SpectraBase Compound ID Gpu5OjptUl8
InChI InChI=1S/C18H23NO2S/c1-21-18(20)17-16(13-8-4-2-5-9-13)19-12-14-10-6-3-7-11-15(14)22-17/h2,4-5,8-9,14-15,19H,3,6-7,10-12H2,1H3
InChIKey MAUGSVBSDQSSQE-UHFFFAOYSA-N
Mol Weight 317.45 g/mol
Molecular Formula C18H23NO2S
Exact Mass 317.14495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAVfLFvqR5P
Name trans-3-Phenyl-cyclohepta(F)-4,5-dihydro-1,4-thiazepine-2-carboxylic acid, methyl ester
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Formula C18H23NO2S
InChI InChI=1S/C18H23NO2S/c1-21-18(20)17-16(13-8-4-2-5-9-13)19-12-14-10-6-3-7-11-15(14)22-17/h2,4-5,8-9,14-15,19H,3,6-7,10-12H2,1H3
InChIKey MAUGSVBSDQSSQE-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