| SpectraBase Compound ID | 1cMuehRCA7V |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-4-5-12-16-14(15)11-9-7-6-8-10-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | ZLUUGBAUWMABHY-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LLTk355TIDQ |
|---|---|
| Name | 8-Methylnonanoic acid, N-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-4-5-12-16-14(15)11-9-7-6-8-10-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | ZLUUGBAUWMABHY-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | CC(C)CCCCCCC(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946555 |