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(3S,4'S)-2-Benzyl-5-bromo-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-4,4-dimethoxy-2,3,4,7-tetrahydro-[1,2]oxazepine
SpectraBase Compound ID GQFNgpvAdHs
InChI InChI=1S/C19H26BrNO5/c1-18(2)24-13-15(26-18)17-19(22-3,23-4)16(20)10-11-25-21(17)12-14-8-6-5-7-9-14/h5-10,15,17H,11-13H2,1-4H3/t15-,17+/m1/s1
InChIKey GXRGWMYRNIPWDU-WBVHZDCISA-N
Mol Weight 428.32 g/mol
Molecular Formula C19H26BrNO5
Exact Mass 427.099436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaI64wo8W5i
Name (3S,4'S)-2-Benzyl-5-bromo-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-4,4-dimethoxy-2,3,4,7-tetrahydro-[1,2]oxazepine
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Formula C19H26BrNO5
InChI InChI=1S/C19H26BrNO5/c1-18(2)24-13-15(26-18)17-19(22-3,23-4)16(20)10-11-25-21(17)12-14-8-6-5-7-9-14/h5-10,15,17H,11-13H2,1-4H3/t15-,17+/m1/s1
InChIKey GXRGWMYRNIPWDU-WBVHZDCISA-N
Molecular Weight 428.323 g/mol
SMILES [C@]1(C(C(=CCON1Cc1ccccc1)Br)(OC)OC)([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-0006-7902000000-665212c09ad5a75cf20b
Source of Spectrum F4-42-309-4b
Wiley ID 1673547