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Octanoic acid, 2-(2,2-dibromoethyl)-2-methyl-, methyl ester
SpectraBase Compound ID HW0dLRJUMTI
InChI InChI=1S/C12H22Br2O2/c1-4-5-6-7-8-12(2,9-10(13)14)11(15)16-3/h10H,4-9H2,1-3H3
InChIKey UOGNSCNIKQWAJZ-UHFFFAOYSA-N
Mol Weight 358.11 g/mol
Molecular Formula C12H22Br2O2
Exact Mass 355.998656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp8FlRaWKJL
Name Octanoic acid, 2-(2,2-dibromoethyl)-2-methyl-, methyl ester
Alternate Name(s) Methyl 2-(2',2'-dibromoethyl)-2-methylocatanoate Methyl 2-(2,2-dibromoethyl)-2-methyloctanoate
CAS Registry Number 41487-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22Br2O2
InChI InChI=1S/C12H22Br2O2/c1-4-5-6-7-8-12(2,9-10(13)14)11(15)16-3/h10H,4-9H2,1-3H3
InChIKey UOGNSCNIKQWAJZ-UHFFFAOYSA-N
Molecular Weight 358.114 g/mol
SMILES C(C(=O)OC)(CC(Br)Br)(CCCCCC)C
SPLASH splash10-0f6x-5904000000-edcfd04893077244ef59
Source of Spectrum C-97-2222-0
Wiley ID 1345492