| SpectraBase Compound ID | 8DNFS0dSnXA |
|---|---|
| InChI | InChI=1S/C15H13ClO2/c1-10-5-3-4-6-13(10)15(17)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3 |
| InChIKey | WOMRNNNLXZBYNN-UHFFFAOYSA-N |
| Mol Weight | 260.72 g/mol |
| Molecular Formula | C15H13ClO2 |
| Exact Mass | 260.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6zfS307fkcJ |
|---|---|
| Name | 2-Methylbenzoic acid, 4-chloro-2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.060407357 u |
| Formula | C15H13ClO2 |
| InChI | InChI=1S/C15H13ClO2/c1-10-5-3-4-6-13(10)15(17)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3 |
| InChIKey | WOMRNNNLXZBYNN-UHFFFAOYSA-N |
| Molecular Weight | 260.720 g/mol |
| SMILES | C(C1=C(C=CC=C1)C)(OC1=CC=C(C=C1C)Cl)=O |