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(4R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-8-[(tetrahydro-2Hpyran-2-yl)oxy]oct-1-yn-4-amine
SpectraBase Compound ID D36QgRrqQbu
InChI InChI=1S/C20H33NO4S/c1-6-12-18(21(15-7-2)26(22,23)20(3,4)5)13-8-10-16-24-19-14-9-11-17-25-19/h1-2,18-19H,8-17H2,3-5H3/t18-,19?/m0/s1
InChIKey XISPUJWDFDLPJQ-OYKVQYDMSA-N
Mol Weight 383.5 g/mol
Molecular Formula C20H33NO4S
Exact Mass 383.21303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ofld5Y5Ls
Name (4R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-8-[(tetrahydro-2Hpyran-2-yl)oxy]oct-1-yn-4-amine
Appearance Brown oil
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Formula C20H33NO4S
InChI InChI=1S/C20H33NO4S/c1-6-12-18(21(15-7-2)26(22,23)20(3,4)5)13-8-10-16-24-19-14-9-11-17-25-19/h1-2,18-19H,8-17H2,3-5H3/t18-,19?/m0/s1
InChIKey XISPUJWDFDLPJQ-OYKVQYDMSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 383.547 g/mol
Reported Formula C20H33NO4S
SMILES C#CCN(S(C(C)(C)C)(=O)=O)[C@](CCCCOC1CCCCO1)(CC#C)[H]
SPLASH splash10-052o-9720000000-d46b083e2cc0bf626dde
Sample Comments Diastereomeric mixture (1:1)
Source of Spectrum U1-2020-122-5e
Thin-Layer Chromatography Rf = 0.31 (hexane/EtOAc, 5:1)
Wiley ID 1856937