| SpectraBase Compound ID | 4KK5QAhfQOe |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-3-4-5-6-7-8-13-10(11)9-12-2/h3-9H2,1-2H3 |
| InChIKey | XCKMRHVBFLCQQB-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DgCwgH41Ap |
|---|---|
| Name | Methoxyacetic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-3-4-5-6-7-8-13-10(11)9-12-2/h3-9H2,1-2H3 |
| InChIKey | XCKMRHVBFLCQQB-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | COCC(OCCCCCCC)=O |