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(2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(hydroxymethyl)phenyl]-5-(tetrahydro-2H-pyran-2-yloxy)pentan-2-amine
SpectraBase Compound ID Gs530u9MEyR
InChI InChI=1S/C21H35NO4S/c1-21(2,3)27(24)22-19(15-17-9-4-5-10-18(17)16-23)11-8-14-26-20-12-6-7-13-25-20/h4-5,9-10,19-20,22-23H,6-8,11-16H2,1-3H3/t19-,20?,27?/m0/s1
InChIKey PGDUACSJYPUBGE-DIQZNMANSA-N
Mol Weight 397.6 g/mol
Molecular Formula C21H35NO4S
Exact Mass 397.22868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43VxdVpFd2K
Name (2S,RS)-N-(tert-Butylsulfinyl)-1-[2-(hydroxymethyl)phenyl]-5-(tetrahydro-2H-pyran-2-yloxy)pentan-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO4S
InChI InChI=1S/C21H35NO4S/c1-21(2,3)27(24)22-19(15-17-9-4-5-10-18(17)16-23)11-8-14-26-20-12-6-7-13-25-20/h4-5,9-10,19-20,22-23H,6-8,11-16H2,1-3H3/t19-,20?,27?/m0/s1
InChIKey PGDUACSJYPUBGE-DIQZNMANSA-N
Molecular Weight 397.574 g/mol
SMILES N(S(C(C)(C)C)=O)[C@](Cc1c(CO)cccc1)(CCCOC1OCCCC1)[H]
SPLASH splash10-000i-9830000000-b3db2beb7acd25f4b03c
Source of Spectrum U1-2010-2898-10f
Wiley ID 1663859