| SpectraBase Compound ID | LVCUGJtD8Ts |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c1-11(2)12-6-8-13(9-7-12)17-14(16)5-3-4-10-15/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | WAZQBTIALXGYSE-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 | 8hd9Gn4We2c |
|---|---|
| Name | 5-Clorovaleric acid, 4-isopropylphenyl 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/c1-11(2)12-6-8-13(9-7-12)17-14(16)5-3-4-10-15/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | WAZQBTIALXGYSE-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C(OC1=CC=C(C(C)C)C=C1)(CCCCCl)=O |