| SpectraBase Compound ID | BVEk8gI3oLk |
|---|---|
| InChI | InChI=1S/C11H22O4/c1-3-4-5-7-15-11(13)9-10(12)6-8-14-2/h10,12H,3-9H2,1-2H3 |
| InChIKey | HLHZXMVWWLTQHD-UHFFFAOYSA-N |
| Mol Weight | 218.29 g/mol |
| Molecular Formula | C11H22O4 |
| Exact Mass | 218.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1d2EPi7Ye0Z |
|---|---|
| Name | Pentyl (3S)-3-hydroxy-5-methoxypentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.151809184 u |
| Formula | C11H22O4 |
| InChI | InChI=1S/C11H22O4/c1-3-4-5-7-15-11(13)9-10(12)6-8-14-2/h10,12H,3-9H2,1-2H3 |
| InChIKey | HLHZXMVWWLTQHD-UHFFFAOYSA-N |
| Molecular Weight | 218.293 g/mol |
| SMILES | C(CC(CCOC)O)(=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878724 |