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(2S,3R)-2-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID 1kEUVBh8h8G
InChI InChI=1S/C22H17Cl2NO3S/c1-14-2-12-19(13-3-14)29(27,28)25-20(15-4-8-17(23)9-5-15)21(25)22(26)16-6-10-18(24)11-7-16/h2-13,20-21H,1H3/t20-,21+,25?/m1/s1
InChIKey QMQUJHLAVVNONL-GJAAFAAWSA-N
Mol Weight 446.35 g/mol
Molecular Formula C22H17Cl2NO3S
Exact Mass 445.03062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A2sd17HGZ0
Name (2S,3R)-2-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1-(4-toluenesulfonyl)aziridine
Alternate Name(s) (4-chlorophenyl){(2S,3R)-3-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]aziridinyl}methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17Cl2NO3S
InChI InChI=1S/C22H17Cl2NO3S/c1-14-2-12-19(13-3-14)29(27,28)25-20(15-4-8-17(23)9-5-15)21(25)22(26)16-6-10-18(24)11-7-16/h2-13,20-21H,1H3/t20-,21+,25?/m1/s1
InChIKey QMQUJHLAVVNONL-GJAAFAAWSA-N
Molecular Weight 446.348 g/mol
SMILES [C@]1(N([C@@]1(c1ccc(cc1)Cl)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccc(cc1)Cl)=O)[H]
SPLASH splash10-000l-0930300000-8e79c45336296c1662fe
Source of Spectrum KD-16-3731-7
Wiley ID 1638021