| SpectraBase Compound ID | 2YxkU4QA9Cb |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3 |
| InChIKey | ZZLQVNHJJPBAPS-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 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 | 2obBFWPwBMr |
|---|---|
| Name | 5-Chlorovaleric acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.091707485 u |
| Formula | C13H17ClO2 |
| InChI | InChI=1S/C13H17ClO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3 |
| InChIKey | ZZLQVNHJJPBAPS-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(CCCCCl)=O |