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(2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(2-hydroxyethyl)phenyl]-5-(tetrahydro-2H-pyran-2-yloxy)pentan-2-amine
SpectraBase Compound ID CUl87Obt3n4
InChI InChI=1S/C22H37NO4S/c1-22(2,3)28(25)23-20(11-8-16-27-21-12-6-7-15-26-21)17-19-10-5-4-9-18(19)13-14-24/h4-5,9-10,20-21,23-24H,6-8,11-17H2,1-3H3/t20-,21?,28?/m0/s1
InChIKey IYVZVFUQENTXLY-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 Elx92kAeprQ
Name (2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(2-hydroxyethyl)phenyl]-5-(tetrahydro-2H-pyran-2-yloxy)pentan-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(11-8-16-27-21-12-6-7-15-26-21)17-19-10-5-4-9-18(19)13-14-24/h4-5,9-10,20-21,23-24H,6-8,11-17H2,1-3H3/t20-,21?,28?/m0/s1
InChIKey IYVZVFUQENTXLY-ODXIDCHCSA-N
Molecular Weight 411.601 g/mol
SMILES N(S(C(C)(C)C)=O)[C@](Cc1c(CCO)cccc1)(CCCOC1OCCCC1)[H]
SPLASH splash10-00dr-9870000000-09ae600fd3b962e95525
Source of Spectrum U1-2010-2899-13f
Wiley ID 1663854