| SpectraBase Compound ID | KQkTvqC3PW8 |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-3-4-7(5-8(10)11)6-9(12)13-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | ZMJKEEVRMOSAMX-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kyg0BU6ITJ3 |
|---|---|
| Name | 3-Propylglutaric acid, monomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-3-4-7(5-8(10)11)6-9(12)13-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | ZMJKEEVRMOSAMX-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | CCCC(CC(=O)O)CC(OC)=O |