| SpectraBase Compound ID | 2sLJc8lXarn |
|---|---|
| InChI | InChI=1S/C15H17ClO3/c16-14(17)12-7-4-8-13(9-12)15(18)19-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2 |
| InChIKey | OKVMSFMEFZQYOJ-UHFFFAOYSA-N |
| Mol Weight | 280.75 g/mol |
| Molecular Formula | C15H17ClO3 |
| Exact Mass | 280.086622 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 | 9WS7PPqY694 |
|---|---|
| Name | Isophthalic acid, monochloride, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.086622104 u |
| Formula | C15H17ClO3 |
| InChI | InChI=1S/C15H17ClO3/c16-14(17)12-7-4-8-13(9-12)15(18)19-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2 |
| InChIKey | OKVMSFMEFZQYOJ-UHFFFAOYSA-N |
| SMILES | C(OC(C1=CC(C(Cl)=O)=CC=C1)=O)C1CCCCC1 |