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N-{3-[(1R,7aR)-1-[(R)-1,5-Dimethylhexyl]-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl]-propyl}pyridiniumbromide
SpectraBase Compound ID 2MHcqvV9Snc
InChI InChI=1S/C26H42N.BrH/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27;/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3;1H/q+1;/p-1/t22-,24-,26-;/m1./s1
InChIKey MOOOPJGXQHTKAZ-IGFOVWFVSA-M
Mol Weight 448.5 g/mol
Molecular Formula C26H42BrN
Exact Mass 447.250063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gh1uDd92jHU
Name N-{3-[(1R,7aR)-1-[(R)-1,5-Dimethylhexyl]-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl]-propyl}pyridiniumbromide
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Formula C26H42BrN
InChI InChI=1S/C26H42N.BrH/c1-21(2)11-8-12-22(3)24-15-16-25-23(13-9-17-26(24,25)4)14-10-20-27-18-6-5-7-19-27;/h5-7,18-19,21-22,24H,8-17,20H2,1-4H3;1H/q+1;/p-1/t22-,24-,26-;/m1./s1
InChIKey MOOOPJGXQHTKAZ-IGFOVWFVSA-M
Molecular Weight 448.533 g/mol
SMILES [Br-].[C@]12(C(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])=C(CCC[n+]2ccccc2)CCC1)C
SPLASH splash10-000x-9201000000-a2e5e73c838556e7aede
Source of Spectrum EMC-63-763-8
Synonyms 1-(3-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propyl)pyridin-1-ium bromide 1-[3-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]propyl]pyridin-1-ium;bromide
Wiley ID 1735378