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1-(Ethoxycarbonyl)-2-[1',2'-bis(benzyloxy)-4',4'-dibromo-3'-butenyl]-1,2,5,6-tetrahydropyridine
SpectraBase Compound ID 5tv475VWwOi
InChI InChI=1S/C26H29Br2NO4/c1-2-31-26(30)29-16-10-9-15-22(29)25(33-19-21-13-7-4-8-14-21)23(17-24(27)28)32-18-20-11-5-3-6-12-20/h3-9,11-15,17,22-23,25H,2,10,16,18-19H2,1H3
InChIKey NDDFMGVBHMIUTP-UHFFFAOYSA-N
Mol Weight 579.33 g/mol
Molecular Formula C26H29Br2NO4
Exact Mass 577.046334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3aVg4MyzBX
Name 1-(Ethoxycarbonyl)-2-[1',2'-bis(benzyloxy)-4',4'-dibromo-3'-butenyl]-1,2,5,6-tetrahydropyridine
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Formula C26H29Br2NO4
InChI InChI=1S/C26H29Br2NO4/c1-2-31-26(30)29-16-10-9-15-22(29)25(33-19-21-13-7-4-8-14-21)23(17-24(27)28)32-18-20-11-5-3-6-12-20/h3-9,11-15,17,22-23,25H,2,10,16,18-19H2,1H3
InChIKey NDDFMGVBHMIUTP-UHFFFAOYSA-N
Molecular Weight 579.329 g/mol
SMILES C1(N(CCC=C1)C(=O)OCC)C(C(C=C(Br)Br)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-000i-0000940000-0a2aaff2df0d4cb2fc4b
Source of Spectrum C-118-1058-12
Wiley ID 1698336