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Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-chloroallyl)malonate
SpectraBase Compound ID 4ycI6N0PG7w
InChI InChI=1S/C22H36BrClO4/c1-6-10-12-18(13-11-7-2)19(23)14-15-22(16-17(5)24,20(25)27-8-3)21(26)28-9-4/h5-16H2,1-4H3
InChIKey XZVBMTXOFGOBAQ-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C22H36BrClO4
Exact Mass 478.14855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uPSfUMHJdC
Name Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-chloroallyl)malonate
Alternate Name(s) Diethyl 2-(3-bromo-4-butyloct-3-en-1-yl)-2-(2-chloroallyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36BrClO4
InChI InChI=1S/C22H36BrClO4/c1-6-10-12-18(13-11-7-2)19(23)14-15-22(16-17(5)24,20(25)27-8-3)21(26)28-9-4/h5-16H2,1-4H3
InChIKey XZVBMTXOFGOBAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01597e
Molecular Weight 479.883 g/mol
SMILES C(OCC)(=O)C(CCC(=C(CCCC)CCCC)Br)(CC(=C)Cl)C(OCC)=O
SPLASH splash10-0002-9776200000-4e21afbce35a8e7e52ce
Source of Spectrum KD-50-5993/SM-4g
Wiley ID 1754567