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(2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynyl-aziridine
SpectraBase Compound ID ENZztgGWB2A
InChI InChI=1S/C23H26ClNO2S/c1-3-4-5-6-7-8-9-22-23(19-12-14-20(24)15-13-19)25(22)28(26,27)21-16-10-18(2)11-17-21/h10-17,22-23H,3-7H2,1-2H3/t22-,23+,25?/m1/s1
InChIKey NGVQNOQINWTJEM-QRKINALSSA-N
Mol Weight 415.98 g/mol
Molecular Formula C23H26ClNO2S
Exact Mass 415.137278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nE3RmugLeK
Name (2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynyl-aziridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26ClNO2S
InChI InChI=1S/C23H26ClNO2S/c1-3-4-5-6-7-8-9-22-23(19-12-14-20(24)15-13-19)25(22)28(26,27)21-16-10-18(2)11-17-21/h10-17,22-23H,3-7H2,1-2H3/t22-,23+,25?/m1/s1
InChIKey NGVQNOQINWTJEM-QRKINALSSA-N
Molecular Weight 415.979 g/mol
SMILES c1(S(N2[C@](C#CCCCCCC)([C@@]2(c2ccc(cc2)Cl)[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-03di-1090000000-d129ad2cedc234720763
Source of Spectrum J-63-4347-0
Synonyms (2S,3R)-2-(4-chlorophenyl)-3-oct-1-ynyl-1-(p-tolylsulfonyl)aziridine (2S,3R)-2-(4-chlorophenyl)-3-oct-1-ynyl-1-tosyl-ethylenimine
Wiley ID 1375992