For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,5R,6R,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 FofnkiOAWK2
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-JYYAWHABSA-N
Mol Weight 477.19 g/mol
Molecular Formula C18H23Br2NO4
Exact Mass 474.999384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FkWTEaKA9rw
Name (1S,5R,6R,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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-JYYAWHABSA-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 1673550