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POAUKRZUTYZMKH-JTHBVZDNSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

POAUKRZUTYZMKH-JTHBVZDNSA-N
SpectraBase Compound ID 7p7O0NNBMdk
InChI InChI=1S/C24H22F3NO3S/c1-17-12-14-20(15-13-17)32-23(24(25,26)27,21(29)19-10-6-3-7-11-19)28-22(30)31-16-18-8-4-2-5-9-18/h2-15,21,29H,16H2,1H3,(H,28,30)/t21-,23+/m0/s1
InChIKey POAUKRZUTYZMKH-JTHBVZDNSA-N
Mol Weight 461.5 g/mol
Molecular Formula C24H22F3NO3S
Exact Mass 461.127249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qs8mLBM7Gz
Name (1S,2R)-2-[(Benzyloxycarbonyl)amino]-2-[(4-methylphenyl)sulfenyl]-3,3,3-trifluoro-1-phenylpropan-1-ol
Alternate Name(s) (1S,2R)-2-[(Benzyloxycarbonyl)amino]-2-[(4-methylphenyl)sulfenyl]-3,3,3-trifluoro-1-phenylpropan-1-ol [(R)-2,2,2-Trifluoro-1-((S)-hydroxy-phenyl-methyl)-1-(toluene-4-sulfenyl)-ethyl]-carbamic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F3NO3S
InChI InChI=1S/C24H22F3NO3S/c1-17-12-14-20(15-13-17)32-23(24(25,26)27,21(29)19-10-6-3-7-11-19)28-22(30)31-16-18-8-4-2-5-9-18/h2-15,21,29H,16H2,1H3,(H,28,30)/t21-,23+/m0/s1
InChIKey POAUKRZUTYZMKH-JTHBVZDNSA-N
Molecular Weight 461.499 g/mol
SMILES N([C@@]([C@](c1ccccc1)(O)[H])(C(F)(F)F)Sc1ccc(cc1)C)C(=O)OCc1ccccc1
SPLASH splash10-001i-0190000000-a160ea67af730baa6a9e
Source of Spectrum J-63-7242-(1S,2R)-5d
Wiley ID 1408810