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Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-phenylallyl)malonate
SpectraBase Compound ID 1BO01z7eVyd
InChI InChI=1S/C28H41BrO4/c1-6-10-15-24(16-11-7-2)25(29)19-20-28(26(30)32-8-3,27(31)33-9-4)21-22(5)23-17-13-12-14-18-23/h12-14,17-18H,5-11,15-16,19-21H2,1-4H3
InChIKey XPOGJSGGAJDMIQ-UHFFFAOYSA-N
Mol Weight 521.5 g/mol
Molecular Formula C28H41BrO4
Exact Mass 520.218823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MgGDpyx6Pg
Name Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-phenylallyl)malonate
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Formula C28H41BrO4
InChI InChI=1S/C28H41BrO4/c1-6-10-15-24(16-11-7-2)25(29)19-20-28(26(30)32-8-3,27(31)33-9-4)21-22(5)23-17-13-12-14-18-23/h12-14,17-18H,5-11,15-16,19-21H2,1-4H3
InChIKey XPOGJSGGAJDMIQ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01597e
Molecular Weight 521.536 g/mol
SMILES C(OCC)(=O)C(CCC(=C(CCCC)CCCC)Br)(CC(=C)c1ccccc1)C(OCC)=O
SPLASH splash10-0fal-0390300000-534eb0d9d265ba491002
Source of Spectrum KD-50-5993/SM-4f
Synonyms Diethyl 2-(3-bromo-4-butyloct-3-en-1-yl)-2-(2-phenylallyl)malonate
Wiley ID 1754566