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(2S,3R)-2-(4-Methylbenzoyl)-3-(4-chlorophenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID 5dsXTY3Cg37
InChI InChI=1S/C23H20ClNO3S/c1-15-3-7-18(8-4-15)23(26)22-21(17-9-11-19(24)12-10-17)25(22)29(27,28)20-13-5-16(2)6-14-20/h3-14,21-22H,1-2H3/t21-,22+,25?/m1/s1
InChIKey DQQUAPGQCSNWRX-RTIVMORXSA-N
Mol Weight 425.93 g/mol
Molecular Formula C23H20ClNO3S
Exact Mass 425.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31TZ4A8IIy
Name (2S,3R)-2-(4-Methylbenzoyl)-3-(4-chlorophenyl)-1-(4-toluenesulfonyl)aziridine
Alternate Name(s) {(2S,3R)-3-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]aziridinyl}(4-methylphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClNO3S
InChI InChI=1S/C23H20ClNO3S/c1-15-3-7-18(8-4-15)23(26)22-21(17-9-11-19(24)12-10-17)25(22)29(27,28)20-13-5-16(2)6-14-20/h3-14,21-22H,1-2H3/t21-,22+,25?/m1/s1
InChIKey DQQUAPGQCSNWRX-RTIVMORXSA-N
Molecular Weight 425.930 g/mol
SMILES [C@]1(N([C@@]1(c1ccc(cc1)Cl)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccc(cc1)C)=O)[H]
SPLASH splash10-016u-6900100000-35241280544545f0405f
Source of Spectrum KD-16-3731-7
Wiley ID 1638020