| SpectraBase Compound ID | FF6B6Y3rqiK |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-8(2)10(12)6-5-9(3)7-11(13)14-4/h8-10,12H,5-7H2,1-4H3 |
| InChIKey | PEPAYKVWQUTJJO-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhJ79jXlbdy |
|---|---|
| Name | Methyl-6-hydroxy-3,7-dimethyloctanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-8(2)10(12)6-5-9(3)7-11(13)14-4/h8-10,12H,5-7H2,1-4H3 |
| InChIKey | PEPAYKVWQUTJJO-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(=O)(CC(CCC(C(C)C)O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855641 |