| SpectraBase Compound ID | DLIOAIKqbTC |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | JNRDWRMJYGDQQE-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 52H9jOVYHEa |
|---|---|
| Name | 6-Methyl-2-heptanol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | JNRDWRMJYGDQQE-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CC(CCCC(C)OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898907 |