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(3aS,7aS)-6-Bromo-7a-(4-bromophenyl)-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
SpectraBase Compound ID 8txlYuVGUZx
InChI InChI=1S/C21H21Br2NO2S/c1-15-2-10-20(11-3-15)27(25,26)24-13-17-6-9-19(23)12-21(17,14-24)16-4-7-18(22)8-5-16/h2-5,7-8,10-12,17H,6,9,13-14H2,1H3/t17-,21+/m1/s1
InChIKey BGUQQBPDRBTACI-UTKZUKDTSA-N
Mol Weight 511.27 g/mol
Molecular Formula C21H21Br2NO2S
Exact Mass 508.965976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8ek0UvQV9m
Name (3aS,7aS)-6-Bromo-7a-(4-bromophenyl)-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21Br2NO2S
InChI InChI=1S/C21H21Br2NO2S/c1-15-2-10-20(11-3-15)27(25,26)24-13-17-6-9-19(23)12-21(17,14-24)16-4-7-18(22)8-5-16/h2-5,7-8,10-12,17H,6,9,13-14H2,1H3/t17-,21+/m1/s1
InChIKey BGUQQBPDRBTACI-UTKZUKDTSA-N
Molecular Weight 511.272 g/mol
SMILES [C@]12([C@@](CN(C2)S(=O)(=O)c2ccc(C)cc2)(c2ccc(Br)cc2)C=C(Br)CC1)[H]
SPLASH splash10-0002-0903200000-3d0b2f18fdcb65460ce0
Source of Spectrum J-80-2465-4b
Wiley ID 1801860