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

*Links on SpectraBase are not permalinks.

4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridine

View entire compound with spectra: 1 MS (GC)

4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridine
SpectraBase Compound ID J7nzFj37isw
InChI InChI=1S/C25H34BrNO3S/c1-24(2,3)30-23-11-10-19-16-18(12-14-25(19,23)4)21-13-15-27(17-22(21)26)31(28,29)20-8-6-5-7-9-20/h5-9,16,19,23H,10-15,17H2,1-4H3/t19-,23+,25+/m1/s1
InChIKey CNIGEXFHNGKLGL-VPHKFGTKSA-N
Mol Weight 508.5 g/mol
Molecular Formula C25H34BrNO3S
Exact Mass 507.144278 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 KYwf66PeOR8
Name 4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34BrNO3S
InChI InChI=1S/C25H34BrNO3S/c1-24(2,3)30-23-11-10-19-16-18(12-14-25(19,23)4)21-13-15-27(17-22(21)26)31(28,29)20-8-6-5-7-9-20/h5-9,16,19,23H,10-15,17H2,1-4H3/t19-,23+,25+/m1/s1
InChIKey CNIGEXFHNGKLGL-VPHKFGTKSA-N
Molecular Weight 508.515 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)CCC(=C1Br)C1=C[C@]2(CC[C@@]([C@]2(CC1)C)(OC(C)(C)C)[H])[H]
SPLASH splash10-0a6u-9011000000-a1ef7c253e22851f7fca
Source of Spectrum QE-12-8339-4
Synonyms 4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-besyl-5-bromo-3,6-dihydro-2H-pyridine 4-[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridine 4-[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-5-bromanyl-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridine
Wiley ID 1587346