| SpectraBase Compound ID | KPBdBHYMm8o |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-11(2)8-6-5-7-9-15-13(14)10-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | QPMMHSBIHVGXNV-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Pq1A9oAYEo |
|---|---|
| Name | 6-Methylheptyl 3-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-11(2)8-6-5-7-9-15-13(14)10-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | QPMMHSBIHVGXNV-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | CC(CCCCCOC(CC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880727 |