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(2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(hydroxymethyl)phenyl]-6-(tetrahydro-2H-pyran-2-yloxy)hexan-2-amine
SpectraBase Compound ID IoRbMJezwEL
InChI InChI=1S/C22H37NO4S/c1-22(2,3)28(25)23-20(16-18-10-4-5-11-19(18)17-24)12-6-8-14-26-21-13-7-9-15-27-21/h4-5,10-11,20-21,23-24H,6-9,12-17H2,1-3H3/t20-,21?,28?/m0/s1
InChIKey CEFVRRNXACUAMF-ODXIDCHCSA-N
Mol Weight 411.6 g/mol
Molecular Formula C22H37NO4S
Exact Mass 411.24433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tO4nkw3iY8
Name (2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(hydroxymethyl)phenyl]-6-(tetrahydro-2H-pyran-2-yloxy)hexan-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37NO4S
InChI InChI=1S/C22H37NO4S/c1-22(2,3)28(25)23-20(16-18-10-4-5-11-19(18)17-24)12-6-8-14-26-21-13-7-9-15-27-21/h4-5,10-11,20-21,23-24H,6-9,12-17H2,1-3H3/t20-,21?,28?/m0/s1
InChIKey CEFVRRNXACUAMF-ODXIDCHCSA-N
Molecular Weight 411.601 g/mol
SMILES N(S(C(C)(C)C)=O)[C@](Cc1c(CO)cccc1)(CCCCOC1OCCCC1)[H]
SPLASH splash10-0019-9370000000-89625c6bf8abc5d1db84
Source of Spectrum U1-2010-2898-10g
Wiley ID 1663858