| SpectraBase Compound ID | ISQyDfLXkIc |
|---|---|
| InChI | InChI=1S/C12H21ClO3/c1-2-3-4-5-6-10-16-12(15)9-7-8-11(13)14/h2-10H2,1H3 |
| InChIKey | XXHHJMNRNYJBCD-UHFFFAOYSA-N |
| Mol Weight | 248.75 g/mol |
| Molecular Formula | C12H21ClO3 |
| Exact Mass | 248.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXL6b53Hjro |
|---|---|
| Name | Glutaric acid, monochloride, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.117922233 u |
| Formula | C12H21ClO3 |
| InChI | InChI=1S/C12H21ClO3/c1-2-3-4-5-6-10-16-12(15)9-7-8-11(13)14/h2-10H2,1H3 |
| InChIKey | XXHHJMNRNYJBCD-UHFFFAOYSA-N |
| Molecular Weight | 248.750 g/mol |
| SMILES | CCCCCCCOC(=O)CCCC(Cl)=O |