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(2S,3R)-3-Fluoro-2,3-dihydro-2-(2-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one isomer
SpectraBase Compound ID DVOzjvCOfSs
InChI InChI=1S/C16H14FNO2S/c1-20-11-8-6-10(7-9-11)15-14(17)16(19)18-12-4-2-3-5-13(12)21-15/h2-9,14-15H,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKey RUYPTORUZVIUHY-GJZGRUSLSA-N
Mol Weight 303.35 g/mol
Molecular Formula C16H14FNO2S
Exact Mass 303.072928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9VWvyQwyXD
Name (2S,3R)-3-Fluoro-2,3-dihydro-2-(2-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one isomer
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Formula C16H14FNO2S
InChI InChI=1S/C16H14FNO2S/c1-20-11-8-6-10(7-9-11)15-14(17)16(19)18-12-4-2-3-5-13(12)21-15/h2-9,14-15H,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKey RUYPTORUZVIUHY-GJZGRUSLSA-N
Molecular Weight 303.351 g/mol
SMILES N1c2c(S[C@]([C@@](C1=O)(F)[H])(c1ccc(cc1)OC)[H])cccc2
SPLASH splash10-0zfu-4913000000-78766fc0c251acd394bb
Source of Spectrum F-52-4409-19
Synonyms (2S,3R)-3-Fluoro-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one isomer (2S,3R)-3-fluoro-2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 3-Fluoro-2,3-dihydro-2-(2-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one isomer 3-Fluoro-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one isomer
Wiley ID 796020