| SpectraBase Compound ID | HqXxuzofQgA |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1 |
| InChIKey | OFCMTSZRXXFMBQ-SSDOTTSWSA-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 | BSgECFVrXxP |
|---|---|
| Name | (7R)-7-Hydroxycaprylic acid |
| 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/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1 |
| InChIKey | OFCMTSZRXXFMBQ-SSDOTTSWSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | C(=O)(O)CCCCC[C@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865795 |