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Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-methylallyl)malonate
SpectraBase Compound ID ItZj2oCL3ys
InChI InChI=1S/C23H39BrO4/c1-7-11-13-19(14-12-8-2)20(24)15-16-23(17-18(5)6,21(25)27-9-3)22(26)28-10-4/h5,7-17H2,1-4,6H3
InChIKey ZMTBRSNDNKEGLD-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C23H39BrO4
Exact Mass 458.203173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1zKjHvSj68
Name Diethyl 2-(3-bromo-4-butyl-3-octen-1-yl)-2-(2-methylallyl)malonate
Alternate Name(s) Diethyl 2-(3-bromo-4-butyloct-3-en-1-yl)-2-(2-methylallyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H39BrO4
InChI InChI=1S/C23H39BrO4/c1-7-11-13-19(14-12-8-2)20(24)15-16-23(17-18(5)6,21(25)27-9-3)22(26)28-10-4/h5,7-17H2,1-4,6H3
InChIKey ZMTBRSNDNKEGLD-UHFFFAOYSA-N
Molecular Weight 459.465 g/mol
SMILES C(C(CCCC)=C(CCC(CC(=C)C)(C(OCC)=O)C(OCC)=O)Br)CCC
SPLASH splash10-03fr-0394000000-4d0af6725c5888c8178c
Source of Spectrum KD-50-5993/SM-4d
Wiley ID 1754564