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3-(Benzyloxycarbonyl)-1-bromo-5,6-O-isopropylidene-2-oxa-3-azabicyclo[2.2.2]oct-7-en-5,6-diol
SpectraBase Compound ID Kx4DKgWYwAH
InChI InChI=1S/C17H18BrNO5/c1-16(2)22-13-12-8-9-17(18,14(13)23-16)24-19(12)15(20)21-10-11-6-4-3-5-7-11/h3-9,12-14H,10H2,1-2H3
InChIKey MGJMOQMQNLWCBC-UHFFFAOYSA-N
Mol Weight 396.24 g/mol
Molecular Formula C17H18BrNO5
Exact Mass 395.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ5uIm3bGHZ
Name 3-(Benzyloxycarbonyl)-1-bromo-5,6-O-isopropylidene-2-oxa-3-azabicyclo[2.2.2]oct-7-en-5,6-diol
Alternate Name(s) benzyl 7-bromo-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.2.0(2,6)]undec-10-ene-9-carboxylate
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Formula C17H18BrNO5
InChI InChI=1S/C17H18BrNO5/c1-16(2)22-13-12-8-9-17(18,14(13)23-16)24-19(12)15(20)21-10-11-6-4-3-5-7-11/h3-9,12-14H,10H2,1-2H3
InChIKey MGJMOQMQNLWCBC-UHFFFAOYSA-N
Molecular Weight 396.237 g/mol
SMILES C12(C3C(OC(O3)(C)C)C(C=C1)N(O2)C(OCc1ccccc1)=O)Br
SPLASH splash10-0006-9000000000-ac2186b983067d88424c
Source of Spectrum C-116-5113-21
Wiley ID 1366967