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2,8-Diallyl-8-azabicyclo[3.2.1]octan-3-yl 4-bromobenzoate
SpectraBase Compound ID vOeH9kJWVz
InChI InChI=1S/C20H24BrNO2/c1-3-5-17-18-11-10-16(22(18)12-4-2)13-19(17)24-20(23)14-6-8-15(21)9-7-14/h3-4,6-9,16-19H,1-2,5,10-13H2/t16-,17+,18+,19-/m0/s1
InChIKey ZYKKTYLZBDJAFZ-MANSERQUSA-N
Mol Weight 390.32 g/mol
Molecular Formula C20H24BrNO2
Exact Mass 389.099042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMoRAHBbEly
Name 2,8-Diallyl-8-azabicyclo[3.2.1]octan-3-yl 4-bromobenzoate
Alternate Name(s) (1S,2S,3S,5S)-2,8-diallyl-8-azabicyclo[3.2.1]octan-3-yl 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24BrNO2
InChI InChI=1S/C20H24BrNO2/c1-3-5-17-18-11-10-16(22(18)12-4-2)13-19(17)24-20(23)14-6-8-15(21)9-7-14/h3-4,6-9,16-19H,1-2,5,10-13H2/t16-,17+,18+,19-/m0/s1
InChIKey ZYKKTYLZBDJAFZ-MANSERQUSA-N
Literature Reference DOI 10.1021/ol4016207
Molecular Weight 390.321 g/mol
SMILES [C@]1(C[C@@]2(CC[C@]([C@@]1([H])CC=C)(N2CC=C)[H])[H])(OC(=O)c1ccc(cc1)Br)[H]
SPLASH splash10-0006-0900000000-f078c321e9c42c4e1746
Source of Spectrum A1-15-3880/SMS17-4
Wiley ID 1748973