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(3aS,4S)-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 15DJXeJVeWf
InChI InChI=1S/C24H27NO4S/c1-3-29-24(26)21-14-13-20(18-7-5-4-6-8-18)22-15-25(16-23(21)22)30(27,28)19-11-9-17(2)10-12-19/h4-12,21,23H,3,13-16H2,1-2H3/t21-,23-/m0/s1
InChIKey UCAIDANHRUAMLR-GMAHTHKFSA-N
Mol Weight 425.54 g/mol
Molecular Formula C24H27NO4S
Exact Mass 425.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rq0NgSoOVo
Name (3aS,4S)-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO4S
InChI InChI=1S/C24H27NO4S/c1-3-29-24(26)21-14-13-20(18-7-5-4-6-8-18)22-15-25(16-23(21)22)30(27,28)19-11-9-17(2)10-12-19/h4-12,21,23H,3,13-16H2,1-2H3/t21-,23-/m0/s1
InChIKey UCAIDANHRUAMLR-GMAHTHKFSA-N
Molecular Weight 425.543 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)C[C@]2([C@](CCC(=C12)c1ccccc1)(C(=O)OCC)[H])[H]
SPLASH splash10-00di-0590300000-ec305d072e838c584824
Source of Spectrum SO-0-1772-11
Synonyms (3aS,4S)-7-phenyl-2-tosyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylic acid ethyl ester Ethyl (3aS,4S)-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate Ethyl (3aS,4S)-7-phenyl-2-(p-tolylsulfonyl)-1,3,3a,4,5,6-hexahydroisoindole-4-carboxylate
Wiley ID 878235