| SpectraBase Compound ID | 40fKgJ4prPQ |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-9(2)7-6-8-11(5)14-12(13)10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey | JKKVSNAHONWTMS-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 | EZJQF3hr00L |
|---|---|
| Name | 6-Methyl-2-heptanol, 2-methylpropionate |
| 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/c1-9(2)7-6-8-11(5)14-12(13)10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey | JKKVSNAHONWTMS-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CC(CCCC(C)OC(C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9489 |