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(4R,SS)-(N-tert-Butylsulfinyl)-5-[9-phenantryl]-pent-1-ol-4-amine
SpectraBase Compound ID I88quMZSBgJ
InChI InChI=1S/C23H29NO2S/c1-23(2,3)27(26)24-19(10-8-14-25)16-18-15-17-9-4-5-11-20(17)22-13-7-6-12-21(18)22/h4-7,9,11-13,15,19,24-25H,8,10,14,16H2,1-3H3/t19-,27?/m1/s1
InChIKey WONZQVXTPFZLMY-FOEZPWHWSA-N
Mol Weight 383.55 g/mol
Molecular Formula C23H29NO2S
Exact Mass 383.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEw6w4CoIkh
Name (4R,SS)-(N-tert-Butylsulfinyl)-5-[9-phenantryl]-pent-1-ol-4-amine
Alternate Name(s) (S)-N-((R)-5-hydroxy-1-(phenanthren-9-yl)pentan-2-yl)-2-methylpropane-2-sulfinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO2S
InChI InChI=1S/C23H29NO2S/c1-23(2,3)27(26)24-19(10-8-14-25)16-18-15-17-9-4-5-11-20(17)22-13-7-6-12-21(18)22/h4-7,9,11-13,15,19,24-25H,8,10,14,16H2,1-3H3/t19-,27?/m1/s1
InChIKey WONZQVXTPFZLMY-FOEZPWHWSA-N
Literature Reference DOI 10.1039/c4ob01133c
Molecular Weight 383.550 g/mol
SMILES OCCC[C@](Cc1c2ccccc2c2ccccc2c1)(N[S@](C(C)(C)C)=O)[H]
SPLASH splash10-00rf-6902000000-ef9b725bb6953678a032
Source of Spectrum F5-12-7022-6
Wiley ID 1748265