| SpectraBase Compound ID | 9vs917OyOph |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-4-10(2)11(13)8-6-5-7-9-12(14)15-3/h4,10-11,13H,1,5-9H2,2-3H3 |
| InChIKey | STELOPVCJTZAML-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LowRvzorJZ4 |
|---|---|
| Name | Methyl 7-hydroxy-8-methyl-9-decenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-4-10(2)11(13)8-6-5-7-9-12(14)15-3/h4,10-11,13H,1,5-9H2,2-3H3 |
| InChIKey | STELOPVCJTZAML-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(=O)(OC)CCCCCC(C(C=C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853969 |