| SpectraBase Compound ID | D89ZKKaLpsC |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-10(2)7-5-6-8-14-12(13)9-11(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WKVQCKDXXDXRFF-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JDTKeWr2v1h |
|---|---|
| Name | 5-Methylhexyl 3-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-10(2)7-5-6-8-14-12(13)9-11(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WKVQCKDXXDXRFF-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(CC(C)C)(=O)OCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818729 |