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Butyl isobutyl isobutal
SpectraBase Compound ID JczDHc0GhH9
InChI InChI=1S/C12H26O2/c1-6-7-8-13-12(11(4)5)14-9-10(2)3/h10-12H,6-9H2,1-5H3
InChIKey LFOMSOLOQCOYQJ-UHFFFAOYSA-N
Mol Weight 202.34 g/mol
Molecular Formula C12H26O2
Exact Mass 202.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCg19TuQy0M
Name Butyl isobutyl isobutal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.193280075 u
Formula C12H26O2
InChI InChI=1S/C12H26O2/c1-6-7-8-13-12(11(4)5)14-9-10(2)3/h10-12H,6-9H2,1-5H3
InChIKey LFOMSOLOQCOYQJ-UHFFFAOYSA-N
Molecular Weight 202.338 g/mol
SMILES C(OCC(C)C)(OCCCC)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943126