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

View entire compound with spectra: 1 MS (GC)

(3S,3aS,7aR)-1-Benzyl-5-bromo-4-(1-tert-butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1'H-indene-5-yl)-1,2,3,6-tetrahydropyridine
SpectraBase Compound ID 39f2ybckYkR
InChI InChI=1S/C26H36BrNO/c1-25(2,3)29-24-11-10-21-16-20(12-14-26(21,24)4)22-13-15-28(18-23(22)27)17-19-8-6-5-7-9-19/h5-9,16,21,24H,10-15,17-18H2,1-4H3/t21-,24?,26+/m0/s1
InChIKey PBLGYNXDDGXABN-MVASODGFSA-N
Mol Weight 458.5 g/mol
Molecular Formula C26H36BrNO
Exact Mass 457.198028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ksfar3AXWJU
Name (3S,3aS,7aR)-1-Benzyl-5-bromo-4-(1-tert-butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1'H-indene-5-yl)-1,2,3,6-tetrahydropyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36BrNO
InChI InChI=1S/C26H36BrNO/c1-25(2,3)29-24-11-10-21-16-20(12-14-26(21,24)4)22-13-15-28(18-23(22)27)17-19-8-6-5-7-9-19/h5-9,16,21,24H,10-15,17-18H2,1-4H3/t21-,24?,26+/m0/s1
InChIKey PBLGYNXDDGXABN-MVASODGFSA-N
Molecular Weight 458.484 g/mol
SMILES C1(C2=C(CN(CC2)Cc2ccccc2)Br)=C[C@@]2(CCC([C@@]2(CC1)C)OC(C)(C)C)[H]
SPLASH splash10-0a4i-0009100000-bd725b79589eb0b6de47
Source of Spectrum QE-12-8339-4
Synonyms (3aS,7aR)-5-(1-benzyl-5-bromo-1,2,3,6-tetrahydro-4-pyridinyl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl tert-butyl ether 4-[(3aS,7aR)-1-tert-butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]-1-benzyl-5-bromo-1,2,3,6-tetrahydropyridine
Wiley ID 1587345