| SpectraBase Compound ID | 9TtcR2KM0nQ |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1 |
| InChIKey | RXJKTNNEUMHOQZ-SNVBAGLBSA-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 | 8UH11QqHqGC |
|---|---|
| Name | Methyl (9R)-9-hydroxydecanoate |
| 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/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1 |
| InChIKey | RXJKTNNEUMHOQZ-SNVBAGLBSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(=O)(OC)CCCCCCC[C@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891487 |