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ethyl (6aR,9S,10R,10aS,10bS)-8-bromo-9-propan-2-yl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[1,2-b]isoindole-10-carboxylate
SpectraBase Compound ID BSEtzuu9srn
InChI InChI=1S/C18H28BrNO2/c1-4-22-18(21)17-15(11(2)3)13(19)9-12-10-20-8-6-5-7-14(20)16(12)17/h9,11-12,14-17H,4-8,10H2,1-3H3/t12-,14+,15-,16-,17+/m1/s1
InChIKey YAMDVYWWVPVFQA-LBWNCTQTSA-N
Mol Weight 370.33 g/mol
Molecular Formula C18H28BrNO2
Exact Mass 369.130342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SI1d78xZFv
Name Ethyl (6aR*,9S*,10R*,10aS*,10bS*)-cis-8-bromo-9-isopropyl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[2,1-a]isoindole-10-carboxylate
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Formula C18H28BrNO2
InChI InChI=1S/C18H28BrNO2/c1-4-22-18(21)17-15(11(2)3)13(19)9-12-10-20-8-6-5-7-14(20)16(12)17/h9,11-12,14-17H,4-8,10H2,1-3H3/t12-,14+,15-,16-,17+/m1/s1
InChIKey YAMDVYWWVPVFQA-LBWNCTQTSA-N
Molecular Weight 370.331 g/mol
SMILES [C@@]12([C@]([C@](C(C)C)(C(=C[C@@]2(CN2[C@]1(CCCC2)[H])[H])Br)[H])(C(=O)OCC)[H])[H]
SPLASH splash10-0005-9072000000-ffe664021192ade40301
Source of Spectrum F-54-9554-44
Synonyms (6aR,9S,10R,10aS,10bS)-8-bromo-9-propan-2-yl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[2,1-a]isoindole-10-carboxylic acid ethyl ester Ethyl (6aR,9S,10R,10aS,10bS)-8-bromo-9-propan-2-yl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[2,1-a]isoindole-10-carboxylate Ethyl (6aR,9S,10R,10aS,10bS)-8-bromo-9-isopropyl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[2,1-a]isoindole-10-carboxylate Ethyl (6aR,9S,10R,10aS,10bS)-8-bromanyl-9-propan-2-yl-1,2,3,4,6,6a,9,10,10a,10b-decahydropyrido[2,1-a]isoindole-10-carboxylate
Wiley ID 808251