| SpectraBase Compound ID | DnkGlJRucb0 |
|---|---|
| InChI | InChI=1S/C13H19ClO3/c14-9-5-3-1-2-4-6-10-17-13(15)12-8-7-11-16-12/h7-8,11H,1-6,9-10H2 |
| InChIKey | GRSYGFYMCIAFNY-UHFFFAOYSA-N |
| Mol Weight | 258.74 g/mol |
| Molecular Formula | C13H19ClO3 |
| Exact Mass | 258.102272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7821dYWaM1y |
|---|---|
| Name | 2-Furoic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.102272169 u |
| Formula | C13H19ClO3 |
| InChI | InChI=1S/C13H19ClO3/c14-9-5-3-1-2-4-6-10-17-13(15)12-8-7-11-16-12/h7-8,11H,1-6,9-10H2 |
| InChIKey | GRSYGFYMCIAFNY-UHFFFAOYSA-N |
| Molecular Weight | 258.745 g/mol |
| SMILES | C1(=CC=CO1)C(=O)OCCCCCCCCCl |