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(.alpha.R,3R,5S)-3-Bromo-N-(2-hydroxy-1-phenylethyl)-5-methylthiopiperidin-2-one

View entire compound with spectra: 1 MS (GC)

(.alpha.R,3R,5S)-3-Bromo-N-(2-hydroxy-1-phenylethyl)-5-methylthiopiperidin-2-one
SpectraBase Compound ID GBx10EFoasW
InChI InChI=1S/C14H18BrNO2S/c1-19-11-7-12(15)14(18)16(8-11)13(9-17)10-5-3-2-4-6-10/h2-6,11-13,17H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKey KWBLSGOBKBZVNP-XQQFMLRXSA-N
Mol Weight 344.27 g/mol
Molecular Formula C14H18BrNO2S
Exact Mass 343.024163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqBZgvhbvhP
Name (.alpha.R,3R,5S)-3-Bromo-N-(2-hydroxy-1-phenylethyl)-5-methylthiopiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18BrNO2S
InChI InChI=1S/C14H18BrNO2S/c1-19-11-7-12(15)14(18)16(8-11)13(9-17)10-5-3-2-4-6-10/h2-6,11-13,17H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKey KWBLSGOBKBZVNP-XQQFMLRXSA-N
Molecular Weight 344.267 g/mol
SMILES OC[C@](N1C([C@](Br)(C[C@@](C1)(SC)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-03di-4059000000-c59a649c151c665c3148
Source of Spectrum F-52-7734-11
Synonyms (3R,5S)-3-bromo-1-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanyl)-2-piperidinone
Wiley ID 796757