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trans-3-Fluoro-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID 4ZQWSmaw6Qv
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-/m1/s1
InChIKey RUYPTORUZVIUHY-HUUCEWRRSA-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 59axgJfqlfq
Name trans-3-Fluoro-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-/m1/s1
InChIKey RUYPTORUZVIUHY-HUUCEWRRSA-N
Molecular Weight 303.351 g/mol
SMILES N1c2c(S[C@@]([C@](C1=O)(F)[H])(c1ccc(cc1)OC)[H])cccc2
SPLASH splash10-0udi-0945000000-21e569391e887a7aeda6
Source of Spectrum F-52-4409-19
Synonyms (2R,3S)-3-fluoro-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (2R,3S)-3-fluoranyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Wiley ID 796021