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4-Piperidinol, 3-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID LwbaThLcBqL
InChI InChI=1S/C13H18BrNO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-13(2,16)12(14)9-15/h3-6,12,16H,7-9H2,1-2H3/t12-,13+/m0/s1
InChIKey AVKNPETYEAUKQW-QWHCGFSZSA-N
Mol Weight 348.26 g/mol
Molecular Formula C13H18BrNO3S
Exact Mass 347.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bpr6H9wlkg
Name 4-Piperidinol, 3-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
CAS Registry Number 117754-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrNO3S
InChI InChI=1S/C13H18BrNO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-13(2,16)12(14)9-15/h3-6,12,16H,7-9H2,1-2H3/t12-,13+/m0/s1
InChIKey AVKNPETYEAUKQW-QWHCGFSZSA-N
Molecular Weight 348.255 g/mol
SMILES O[C@@]1(CCN(S(c2ccc(cc2)C)(=O)=O)C[C@@]1(Br)[H])C
SPLASH splash10-0k9l-6951000000-743a5c707362f4fec6bf
Source of Spectrum J-53-5497-5
Synonyms (3S,4R)-3-bromo-4-methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinol cis-N-(p-toylsulfonyl)-3-bromo-4-hydroxy-4-methylpiperidine
Wiley ID 1339852