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(2S,3R)-2-(Benzoyl)-3-(4-trifluoromethylphenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID 3iKlTJJCGOu
InChI InChI=1S/C23H18F3NO3S/c1-15-7-13-19(14-8-15)31(29,30)27-20(16-9-11-18(12-10-16)23(24,25)26)21(27)22(28)17-5-3-2-4-6-17/h2-14,20-21H,1H3/t20-,21+,27?/m1/s1
InChIKey BTINLQSIXAXJIW-OFTICUHGSA-N
Mol Weight 445.46 g/mol
Molecular Formula C23H18F3NO3S
Exact Mass 445.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Kst6I055e8
Name (2S,3R)-2-(Benzoyl)-3-(4-trifluoromethylphenyl)-1-(4-toluenesulfonyl)aziridine
Alternate Name(s) {(2S,3R)-1-[(4-methylphenyl)sulfonyl]-3-[4-(trifluoromethyl)phenyl]aziridinyl}(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18F3NO3S
InChI InChI=1S/C23H18F3NO3S/c1-15-7-13-19(14-8-15)31(29,30)27-20(16-9-11-18(12-10-16)23(24,25)26)21(27)22(28)17-5-3-2-4-6-17/h2-14,20-21H,1H3/t20-,21+,27?/m1/s1
InChIKey BTINLQSIXAXJIW-OFTICUHGSA-N
Molecular Weight 445.456 g/mol
SMILES [C@]1(N([C@@]1(c1ccc(cc1)C(F)(F)F)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccccc1)=O)[H]
SPLASH splash10-0a6u-5950000000-1709ac639a2fe6b10a4a
Source of Spectrum KD-16-3731-7
Wiley ID 1638019