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Diethyl 2-allyl-2-(3-bromo-4-butyl-3-octen-1-yl)malonate
SpectraBase Compound ID GEJupQpKVOQ
InChI InChI=1S/C22H37BrO4/c1-6-11-13-18(14-12-7-2)19(23)15-17-22(16-8-3,20(24)26-9-4)21(25)27-10-5/h8H,3,6-7,9-17H2,1-2,4-5H3
InChIKey XMFZZSVIEXSWEL-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C22H37BrO4
Exact Mass 444.187523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRlumq0pnTV
Name Diethyl 2-allyl-2-(3-bromo-4-butyl-3-octen-1-yl)malonate
Alternate Name(s) Diethyl 2-allyl-2-(3-bromo-4-butyloct-3-en-1-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37BrO4
InChI InChI=1S/C22H37BrO4/c1-6-11-13-18(14-12-7-2)19(23)15-17-22(16-8-3,20(24)26-9-4)21(25)27-10-5/h8H,3,6-7,9-17H2,1-2,4-5H3
InChIKey XMFZZSVIEXSWEL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01597e
Molecular Weight 445.438 g/mol
SMILES C(C(=O)OCC)(CCC(Br)=C(CCCC)CCCC)(C(=O)OCC)CC=C
SPLASH splash10-0uxr-1397000000-00b5974a2d0a51d647e1
Source of Spectrum KD-50-5993/SM-4i
Wiley ID 1754569