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(2S,3R)-2-(4-Methoxybenzoyl)-3-phenyl-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID KrKGQugOM1G
InChI InChI=1S/C23H21NO4S/c1-16-8-14-20(15-9-16)29(26,27)24-21(17-6-4-3-5-7-17)22(24)23(25)18-10-12-19(28-2)13-11-18/h3-15,21-22H,1-2H3/t21-,22+,24?/m1/s1
InChIKey QEVUHWHBFRGRSO-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 Kcv3p1P83ez
Name (2S,3R)-2-(4-Methoxybenzoyl)-3-phenyl-1-(4-toluenesulfonyl)aziridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO4S
InChI InChI=1S/C23H21NO4S/c1-16-8-14-20(15-9-16)29(26,27)24-21(17-6-4-3-5-7-17)22(24)23(25)18-10-12-19(28-2)13-11-18/h3-15,21-22H,1-2H3/t21-,22+,24?/m1/s1
InChIKey QEVUHWHBFRGRSO-BVQDOMOSSA-N
Molecular Weight 407.484 g/mol
SMILES [C@]1(N([C@@]1(c1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O)(C(c1ccc(cc1)OC)=O)[H]
SPLASH splash10-0udr-3690100000-2ae9144e5479b20db97d
Source of Spectrum KD-16-3731-7
Synonyms (4-methoxyphenyl){(2S,3R)-1-[(4-methylphenyl)sulfonyl]-3-phenylaziridinyl}methanone
Wiley ID 1638022