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trans-[2-(4-methylphenylsulfonylamino)-1-propyl-cycloheptyl]-methanol
SpectraBase Compound ID 5DMXXBmkmEq
InChI InChI=1S/C18H29NO3S/c1-3-12-18(14-20)13-6-4-5-7-17(18)19-23(21,22)16-10-8-15(2)9-11-16/h8-11,17,19-20H,3-7,12-14H2,1-2H3/t17-,18-/m0/s1
InChIKey KSNFIUBRSZAKRU-ROUUACIJSA-N
Mol Weight 339.49 g/mol
Molecular Formula C18H29NO3S
Exact Mass 339.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EWESFO1jCm
Name trans-[2-(4-methylphenylsulfonylamino)-1-propyl-cycloheptyl]-methanol
Alternate Name(s) N-((1S,2R)-2-(hydroxymethyl)-2-propylcycloheptyl)-4-methylbenzenesulfonamide
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Formula C18H29NO3S
InChI InChI=1S/C18H29NO3S/c1-3-12-18(14-20)13-6-4-5-7-17(18)19-23(21,22)16-10-8-15(2)9-11-16/h8-11,17,19-20H,3-7,12-14H2,1-2H3/t17-,18-/m0/s1
InChIKey KSNFIUBRSZAKRU-ROUUACIJSA-N
Literature Reference DOI 10.1002/cjoc.20040221024
Molecular Weight 339.494 g/mol
SMILES N([C@@]1([C@@](CO)(CCC)CCCCC1)[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0006-9400000000-e0806e0eb2f1376c3b0f
Source of Spectrum CJC-22-1181-6b
Wiley ID 1773861