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(4R,RS)-N-(tert-Butanesulfinyl)-8-[(tetrahydro-2H-pyran-2-yl)-oxy]oct-1-yn-4-amine
SpectraBase Compound ID 4NKFxe5XoHw
InChI InChI=1S/C17H31NO3S/c1-5-10-15(18-22(19)17(2,3)4)11-6-8-13-20-16-12-7-9-14-21-16/h1,15-16,18H,6-14H2,2-4H3/t15-,16?,22?/m0/s1
InChIKey CUAKABNRKPMTLG-KKWNJKKUSA-N
Mol Weight 329.5 g/mol
Molecular Formula C17H31NO3S
Exact Mass 329.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaL0YsdfchU
Name (4R,RS)-N-(tert-Butanesulfinyl)-8-[(tetrahydro-2H-pyran-2-yl)-oxy]oct-1-yn-4-amine
Appearance Yellow oil
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Formula C17H31NO3S
InChI InChI=1S/C17H31NO3S/c1-5-10-15(18-22(19)17(2,3)4)11-6-8-13-20-16-12-7-9-14-21-16/h1,15-16,18H,6-14H2,2-4H3/t15-,16?,22?/m0/s1
InChIKey CUAKABNRKPMTLG-KKWNJKKUSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 329.499 g/mol
Reported Formula C17H31NO3S
SMILES N([C@](CCCCOC1CCCCO1)(CC#C)[H])[S@](=O)C(C)(C)C
SPLASH splash10-000i-9100000000-0152f31e6f3d231c07ca
Sample Comments Diastereomeric mixture (1:1)
Source of Spectrum U1-2020-120-3e
Thin-Layer Chromatography Rf = 0.27 (hexane/EtOAc, 1:1)
Wiley ID 1856927