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8-Methylnonanoic acid, 2-methylbutyl ester

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8-Methylnonanoic acid, 2-methylbutyl ester
SpectraBase Compound ID EHVqmRVevAL
InChI InChI=1S/C15H30O2/c1-5-14(4)12-17-15(16)11-9-7-6-8-10-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey UFLIHMZWNIIZEO-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqdHRLh6m5b
Name 8-Methylnonanoic acid, 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.224580204 u
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-5-14(4)12-17-15(16)11-9-7-6-8-10-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey UFLIHMZWNIIZEO-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
SMILES CC(C)CCCCCCC(=O)OCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981127