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(2S,3R)-2-Benzoyl-3-(2-methoxyphenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID 7RqckGBYBy8
InChI InChI=1S/C23H21NO4S/c1-16-12-14-18(15-13-16)29(26,27)24-21(19-10-6-7-11-20(19)28-2)22(24)23(25)17-8-4-3-5-9-17/h3-15,21-22H,1-2H3/t21-,22+,24?/m1/s1
InChIKey VALIQQSBTKMIGY-BVQDOMOSSA-N
Mol Weight 407.48 g/mol
Molecular Formula C23H21NO4S
Exact Mass 407.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PMMdkbBA5C
Name (2S,3R)-2-Benzoyl-3-(2-methoxyphenyl)-1-(4-toluenesulfonyl)aziridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO4S
InChI InChI=1S/C23H21NO4S/c1-16-12-14-18(15-13-16)29(26,27)24-21(19-10-6-7-11-20(19)28-2)22(24)23(25)17-8-4-3-5-9-17/h3-15,21-22H,1-2H3/t21-,22+,24?/m1/s1
InChIKey VALIQQSBTKMIGY-BVQDOMOSSA-N
Molecular Weight 407.484 g/mol
SMILES [C@]1(N([C@@]1(c1c(cccc1)OC)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccccc1)=O)[H]
SPLASH splash10-0a4i-0910300000-a18652c27d26a88b706e
Source of Spectrum KD-16-3730-7
Synonyms {(2S,3R)-3-(2-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]aziridinyl}(phenyl)methanone
Wiley ID 1638027