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[2R,6R,2(1S,2S)]-2-[1,2-bis[(methoxymethyl)oxy]propyl]-6-methyl-N-(p-tolylsulfonyl)piperidine
SpectraBase Compound ID IX41f27w8qt
InChI InChI=1S/C20H33NO6S/c1-15-9-11-18(12-10-15)28(22,23)21-16(2)7-6-8-19(21)20(27-14-25-5)17(3)26-13-24-4/h9-12,16-17,19-20H,6-8,13-14H2,1-5H3/t16-,17+,19-,20-/m1/s1
InChIKey NMGFAKUFNYOAKD-PIKOESSRSA-N
Mol Weight 415.5 g/mol
Molecular Formula C20H33NO6S
Exact Mass 415.202859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pgJXbR7xZ
Name [2R,6R,2(1S,2S)]-2-[1,2-bis[(methoxymethyl)oxy]propyl]-6-methyl-N-(p-tolylsulfonyl)piperidine
Alternate Name(s) (2R,6R)-2-[(1S,2S)-1,2-bis(methoxymethoxy)propyl]-6-methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CAS Registry Number 118014-73-6
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33NO6S
InChI InChI=1S/C20H33NO6S/c1-15-9-11-18(12-10-15)28(22,23)21-16(2)7-6-8-19(21)20(27-14-25-5)17(3)26-13-24-4/h9-12,16-17,19-20H,6-8,13-14H2,1-5H3/t16-,17+,19-,20-/m1/s1
InChIKey NMGFAKUFNYOAKD-PIKOESSRSA-N
Molecular Weight 415.545 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@@](CCC1)(C)[H])([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])[H]
SPLASH splash10-001r-9000000000-ab0beb5aee585fb06f55
Source of Spectrum C-111-1408-66
Wiley ID 1375922