For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S,3R)-2-Benzoyl-3-(4-bromophenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID HQa8czV2Tm6
InChI InChI=1S/C22H18BrNO3S/c1-15-7-13-19(14-8-15)28(26,27)24-20(16-9-11-18(23)12-10-16)21(24)22(25)17-5-3-2-4-6-17/h2-14,20-21H,1H3/t20-,21+,24?/m1/s1
InChIKey ZKPOBJTWYVHKAJ-JBAPTLGWSA-N
Mol Weight 456.35 g/mol
Molecular Formula C22H18BrNO3S
Exact Mass 455.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LwqM3zCHj96
Name (2S,3R)-2-Benzoyl-3-(4-bromophenyl)-1-(4-toluenesulfonyl)aziridine
Alternate Name(s) {(2S,3R)-3-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]aziridinyl}(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrNO3S
InChI InChI=1S/C22H18BrNO3S/c1-15-7-13-19(14-8-15)28(26,27)24-20(16-9-11-18(23)12-10-16)21(24)22(25)17-5-3-2-4-6-17/h2-14,20-21H,1H3/t20-,21+,24?/m1/s1
InChIKey ZKPOBJTWYVHKAJ-JBAPTLGWSA-N
Molecular Weight 456.354 g/mol
SMILES [C@]1(N([C@@]1(c1ccc(cc1)Br)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccccc1)=O)[H]
SPLASH splash10-0a4i-2910300000-6bc276efd5c426f3753e
Source of Spectrum KD-16-3730-7
Wiley ID 1638029