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(2S,3R)-5-Hexyl-3-iodo-2-phenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
SpectraBase Compound ID 6zx1v6dvbTC
InChI InChI=1S/C23H28INO2S/c1-3-4-5-9-12-20-17-22(24)23(19-10-7-6-8-11-19)25(20)28(26,27)21-15-13-18(2)14-16-21/h6-8,10-11,13-17,22-23H,3-5,9,12H2,1-2H3/t22-,23+/m1/s1
InChIKey HPCFDVHMSPFYQF-PKTZIBPZSA-N
Mol Weight 509.45 g/mol
Molecular Formula C23H28INO2S
Exact Mass 509.088545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cQgBwG9Hq0
Name (2S,3R)-5-Hexyl-3-iodo-2-phenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28INO2S
InChI InChI=1S/C23H28INO2S/c1-3-4-5-9-12-20-17-22(24)23(19-10-7-6-8-11-19)25(20)28(26,27)21-15-13-18(2)14-16-21/h6-8,10-11,13-17,22-23H,3-5,9,12H2,1-2H3/t22-,23+/m1/s1
InChIKey HPCFDVHMSPFYQF-PKTZIBPZSA-N
Molecular Weight 509.446 g/mol
SMILES C=1(N(S(c2ccc(cc2)C)(=O)=O)[C@]([C@@](C1)(I)[H])(c1ccccc1)[H])CCCCCC
SPLASH splash10-0pbc-9625070000-616b365042d482a7ff19
Source of Spectrum KC-61-9591-6
Synonyms (2S,3R)-5-hexyl-3-iodo-1-[(4-methylphenyl)sulfonyl]-2-phenyl-2,3-dihydro-1H-pyrrole 2-Phenyl-3-iodo-5-hexyl-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
Wiley ID 1630823