| SpectraBase Compound ID | GmYwssvIwWx |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2 |
| InChIKey | NICCMCCUQFRADY-UHFFFAOYSA-N |
| Mol Weight | 254.76 g/mol |
| Molecular Formula | C14H19ClO2 |
| Exact Mass | 254.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oG8UsZC07e |
|---|---|
| Name | 5-Chloropentanoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.107357550 u |
| Formula | C14H19ClO2 |
| InChI | InChI=1S/C14H19ClO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2 |
| InChIKey | NICCMCCUQFRADY-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(CCCCCl)=O |