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Methyl 1-(3'-bromo-2'-methylpropyl)-2-oxocyclododecanoate

View entire compound with spectra: 1 MS (GC)

Methyl 1-(3'-bromo-2'-methylpropyl)-2-oxocyclododecanoate
SpectraBase Compound ID JmDwH3JhaNj
InChI InChI=1S/C18H31BrO3/c1-15(14-19)13-18(17(21)22-2)12-10-8-6-4-3-5-7-9-11-16(18)20/h15H,3-14H2,1-2H3
InChIKey RLUJXDLJEWQJIT-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C18H31BrO3
Exact Mass 374.145658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0Q1WOCNnC9
Name Methyl 1-(3'-bromo-2'-methylpropyl)-2-oxocyclododecanoate
Alternate Name(s) Methyl 1-(3-bromo-2-methylpropyl)-2-oxocyclododecanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31BrO3
InChI InChI=1S/C18H31BrO3/c1-15(14-19)13-18(17(21)22-2)12-10-8-6-4-3-5-7-9-11-16(18)20/h15H,3-14H2,1-2H3
InChIKey RLUJXDLJEWQJIT-UHFFFAOYSA-N
Molecular Weight 375.347 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCCCCCCC1)CC(CBr)C
SPLASH splash10-0002-0091000000-dcee9a5a97b9bc4061c5
Source of Spectrum F-48-4784-14
Wiley ID 1356473