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(trans, cis)-7-(4-methylphenylsulfonylamino)-spiro[5.5]undecan-1-ol
SpectraBase Compound ID L0mcSbQY2rF
InChI InChI=1S/C18H27NO3S/c1-14-8-10-15(11-9-14)23(21,22)19-16-6-2-4-12-18(16)13-5-3-7-17(18)20/h8-11,16-17,19-20H,2-7,12-13H2,1H3/t16-,17-,18-/m0/s1
InChIKey CLPYJBNACGVUOO-BZSNNMDCSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BpdJ58vRe2
Name (trans, cis)-7-(4-methylphenylsulfonylamino)-spiro[5.5]undecan-1-ol
Alternate Name(s) N-((1S,6S,7S)-7-hydroxyspiro[5.5]undecan-1-yl)-4-methylbenzenesulfonamide
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Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-14-8-10-15(11-9-14)23(21,22)19-16-6-2-4-12-18(16)13-5-3-7-17(18)20/h8-11,16-17,19-20H,2-7,12-13H2,1H3/t16-,17-,18-/m0/s1
InChIKey CLPYJBNACGVUOO-BZSNNMDCSA-N
Literature Reference DOI 10.1002/cjoc.20040221024
Molecular Weight 337.478 g/mol
SMILES O[C@@]1([C@@]2(CCCC[C@@]2(NS(=O)(=O)c2ccc(cc2)C)[H])CCCC1)[H]
SPLASH splash10-0005-5900000000-ff62ceeb2387920de8f5
Source of Spectrum CJC-22-1181-8b
Wiley ID 1773864