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Octanoic acid, 2-(2-bromoethyl)-2-methyl-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Octanoic acid, 2-(2-bromoethyl)-2-methyl-, methyl ester
SpectraBase Compound ID 9y78iP92TY3
InChI InChI=1S/C12H23BrO2/c1-4-5-6-7-8-12(2,9-10-13)11(14)15-3/h4-10H2,1-3H3
InChIKey SLOBAWSHBIGULN-UHFFFAOYSA-N
Mol Weight 279.22 g/mol
Molecular Formula C12H23BrO2
Exact Mass 278.088143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EGfqTfx5ooN
Name Octanoic acid, 2-(2-bromoethyl)-2-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.088142979 u
Formula C12H23BrO2
InChI InChI=1S/C12H23BrO2/c1-4-5-6-7-8-12(2,9-10-13)11(14)15-3/h4-10H2,1-3H3
InChIKey SLOBAWSHBIGULN-UHFFFAOYSA-N
Molecular Weight 279.218 g/mol
SMILES C(C(CCBr)(CCCCCC)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842395