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3-Piperidinol, 2-(iodomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID DqQCK5WC51x
InChI InChI=1S/C14H20INO3S/c1-11-4-6-12(7-5-11)20(18,19)16-9-3-8-14(2,17)13(16)10-15/h4-7,13,17H,3,8-10H2,1-2H3
InChIKey VSYGTSYCMVLSNF-UHFFFAOYSA-N
Mol Weight 409.28 g/mol
Molecular Formula C14H20INO3S
Exact Mass 409.02086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZaHzQ1cymT
Name 3-Piperidinol, 2-(iodomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 117755-14-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H20INO3S
InChI InChI=1S/C14H20INO3S/c1-11-4-6-12(7-5-11)20(18,19)16-9-3-8-14(2,17)13(16)10-15/h4-7,13,17H,3,8-10H2,1-2H3
InChIKey VSYGTSYCMVLSNF-UHFFFAOYSA-N
Molecular Weight 409.282 g/mol
SMILES OC1(C(N(S(c2ccc(cc2)C)(=O)=O)CCC1)CI)C
SPLASH splash10-000i-9010000000-f7f93709aa7a493caec0
Source of Spectrum J-53-5500-15
Synonyms 2-(iodomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-3-piperidinol N-(p-toylsulfonyl)-2-(iodomethyl)-3-hydroxy-3-methylpiperidine
Wiley ID 1373246