| SpectraBase Compound ID | FAh7wl2Nq7D |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c1-12-6-8-13(9-7-12)14(16)17-11-5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | GDZDULNVQINUPB-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 | 8GZCq2i2GsN |
|---|---|
| Name | 4-Methylbenzoic acid, 6-chlorohexyl 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/c1-12-6-8-13(9-7-12)14(16)17-11-5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | GDZDULNVQINUPB-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(OCCCCCCCl)=O |