| SpectraBase Compound ID | H4hM1NW4a1O |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-5-12(4)13(14)15-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | YNYPOSLGRAFYEW-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 | 5VPxfG7HFNr |
|---|---|
| Name | 6-Methylheptyl 2-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/c1-5-12(4)13(14)15-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | YNYPOSLGRAFYEW-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(C(CC)C)(=O)OCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97649 |