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2-(4-Bromo-3-oxobutyl)malnic acid dimethyl ester

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

2-(4-Bromo-3-oxobutyl)malnic acid dimethyl ester
SpectraBase Compound ID 6Ye4bOSHY2y
InChI InChI=1S/C9H13BrO5/c1-14-8(12)7(9(13)15-2)4-3-6(11)5-10/h7H,3-5H2,1-2H3
InChIKey RPYZEJUHLBRIIS-UHFFFAOYSA-N
Mol Weight 281.1 g/mol
Molecular Formula C9H13BrO5
Exact Mass 279.994637 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHpkvZBttaC
Name 2-(4-Bromo-3-oxobutyl)malnic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.994636514 u
Formula C9H13BrO5
InChI InChI=1S/C9H13BrO5/c1-14-8(12)7(9(13)15-2)4-3-6(11)5-10/h7H,3-5H2,1-2H3
InChIKey RPYZEJUHLBRIIS-UHFFFAOYSA-N
Molecular Weight 281.102 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CCC(=O)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840764