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(3aS,7aS)-6-Bromo-7a-phenyl-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
SpectraBase Compound ID El9RiPM2iOH
InChI InChI=1S/C21H22BrNO2S/c1-16-7-11-20(12-8-16)26(24,25)23-14-18-9-10-19(22)13-21(18,15-23)17-5-3-2-4-6-17/h2-8,11-13,18H,9-10,14-15H2,1H3/t18-,21+/m1/s1
InChIKey ZDUOIHNJBWCDDH-NQIIRXRSSA-N
Mol Weight 432.38 g/mol
Molecular Formula C21H22BrNO2S
Exact Mass 431.055463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6olvhRJveMJ
Name (3aS,7aS)-6-Bromo-7a-phenyl-2-tosyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO2S
InChI InChI=1S/C21H22BrNO2S/c1-16-7-11-20(12-8-16)26(24,25)23-14-18-9-10-19(22)13-21(18,15-23)17-5-3-2-4-6-17/h2-8,11-13,18H,9-10,14-15H2,1H3/t18-,21+/m1/s1
InChIKey ZDUOIHNJBWCDDH-NQIIRXRSSA-N
Molecular Weight 432.376 g/mol
SMILES [C@]12(CCC(=C[C@]2(CN(C1)S(c1ccc(cc1)C)(=O)=O)c1ccccc1)Br)[H]
SPLASH splash10-0002-0923000000-8b65a01dcc008203f04f
Source of Spectrum J-80-2465-4a
Wiley ID 1801859