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(1R,5R,6S,4'S)-4-Benzyl-7,7-dibromo-5-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-6-methoxy-3-oxa-4-azabicyclo[4.1.0]heptane
SpectraBase Compound ID DXHRxPvneBJ
InChI InChI=1S/C18H23Br2NO4/c1-16(2)23-10-13(25-16)15-17(22-3)14(18(17,19)20)11-24-21(15)9-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-,17+/m1/s1
InChIKey MWMNUAWHGMIWRR-ANQUJSFKSA-N
Mol Weight 477.19 g/mol
Molecular Formula C18H23Br2NO4
Exact Mass 474.999384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qghAMgmoZ5
Name (1R,5R,6S,4'S)-4-Benzyl-7,7-dibromo-5-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-6-methoxy-3-oxa-4-azabicyclo[4.1.0]heptane
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Formula C18H23Br2NO4
InChI InChI=1S/C18H23Br2NO4/c1-16(2)23-10-13(25-16)15-17(22-3)14(18(17,19)20)11-24-21(15)9-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-,17+/m1/s1
InChIKey MWMNUAWHGMIWRR-ANQUJSFKSA-N
Molecular Weight 477.193 g/mol
SMILES [C@@]12(C(Br)(Br)[C@@]2(CON([C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])Cc1ccccc1)[H])OC
SPLASH splash10-0f6x-9500200000-620551c7b20e74d374d3
Source of Spectrum F4-42-308-3b'
Wiley ID 1673549