| SpectraBase Compound ID | 4QNm3NmtYeg |
|---|---|
| InChI | InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | FSRDCQRKLDGCLV-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C12H13ClO3 |
| Exact Mass | 240.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DnE3Z2JJ3P |
|---|---|
| Name | 4-Chlorobenzoic acid 4-ketopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.055321976 u |
| Formula | C12H13ClO3 |
| InChI | InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | FSRDCQRKLDGCLV-UHFFFAOYSA-N |
| Molecular Weight | 240.686 g/mol |
| SMILES | C(C1=CC=C(C=C1)Cl)(=O)OCCCC(=O)C |