| SpectraBase Compound ID | CAP65WSSPz4 |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-2-3-4-5-6-11-8(10)7-9/h9H,2-7H2,1H3 |
| InChIKey | QBNWFVUMKJIMAX-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FfM81jkVf2p |
|---|---|
| Name | 2-Hydroxyacetic acid hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-2-3-4-5-6-11-8(10)7-9/h9H,2-7H2,1H3 |
| InChIKey | QBNWFVUMKJIMAX-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | C(=O)(OCCCCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970271 |