| SpectraBase Compound ID | JMdEC0pQdnc |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-3-4-5-6-7-9(10(12)13)14-8(2)11/h9H,3-7H2,1-2H3,(H,12,13) |
| InChIKey | HMUBVMKCIZTMNB-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7D9nytDI2B |
|---|---|
| Name | (+-)-2-hydroxyoctanoic acid, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-3-4-5-6-7-9(10(12)13)14-8(2)11/h9H,3-7H2,1-2H3,(H,12,13) |
| InChIKey | HMUBVMKCIZTMNB-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | CCCCCCC(C(O)=O)OC(C)=O |