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(1S,3aS,7aR)-1-Benzolsulfonyl-5-bromo-4-(1'-tert-butoxy-7a'-methyl-2',3',3a',6',7',7a'-hexahydro-1'-indene-5'-yl)-1,2,3,6-dihydropyridine

View entire compound with spectra: 1 MS (GC)

(1S,3aS,7aR)-1-Benzolsulfonyl-5-bromo-4-(1'-tert-butoxy-7a'-methyl-2',3',3a',6',7',7a'-hexahydro-1'-indene-5'-yl)-1,2,3,6-dihydropyridine
SpectraBase Compound ID HXyYq5bhIOc
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+/m0/s1
InChIKey CNIGEXFHNGKLGL-BFMBIBTESA-N
Mol Weight 508.5 g/mol
Molecular Formula C25H34BrNO3S
Exact Mass 507.144278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYburYps4ct
Name (1S,3aS,7aR)-1-Benzolsulfonyl-5-bromo-4-(1'-tert-butoxy-7a'-methyl-2',3',3a',6',7',7a'-hexahydro-1'-indene-5'-yl)-1,2,3,6-dihydropyridine
Copyright Copyright © 2020-2024 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+/m0/s1
InChIKey CNIGEXFHNGKLGL-BFMBIBTESA-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-12-8340-4
Wiley ID 1587408