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(1R,RS)-N-(tert-Butylsulfinyl)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethanamine
SpectraBase Compound ID DHHBrtOCYIF
InChI InChI=1S/C21H29NO3S/c1-21(2,3)26(24)22-20(17-9-11-19(25-4)12-10-17)15-18-8-6-5-7-16(18)13-14-23/h5-12,20,22-23H,13-15H2,1-4H3/t20-,26?/m1/s1
InChIKey GTHPWKRGDFPYMO-TUHVGIAZSA-N
Mol Weight 375.53 g/mol
Molecular Formula C21H29NO3S
Exact Mass 375.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H495bKYGXqa
Name (1R,RS)-N-(tert-Butylsulfinyl)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3S
InChI InChI=1S/C21H29NO3S/c1-21(2,3)26(24)22-20(17-9-11-19(25-4)12-10-17)15-18-8-6-5-7-16(18)13-14-23/h5-12,20,22-23H,13-15H2,1-4H3/t20-,26?/m1/s1
InChIKey GTHPWKRGDFPYMO-TUHVGIAZSA-N
Molecular Weight 375.527 g/mol
SMILES N(S(C(C)(C)C)=O)[C@](Cc1c(CCO)cccc1)(c1ccc(cc1)OC)[H]
SPLASH splash10-0019-0960000000-e6e0a9f0c6989120ffef
Source of Spectrum U1-2010-2899-13e
Wiley ID 1663855