| SpectraBase Compound ID | Iqf4KchJhbS |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-7(9)5-3-4-6-8(10)11-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1 |
| InChIKey | QKAGPZRSTTUJIU-ZETCQYMHSA-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 | 7Zwbk1gNLLO |
|---|---|
| Name | S-(+)-methyl-6-hydroxyheptanoate |
| 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)5-3-4-6-8(10)11-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1 |
| InChIKey | QKAGPZRSTTUJIU-ZETCQYMHSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | C(=O)(OC)CCCC[C@@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953466 |