| SpectraBase Compound ID | AYSZxOArYfA |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c17-12-5-3-8-14(11-12)21-16(19)10-4-9-15(18)20-13-6-1-2-7-13/h3,5,8,11,13H,1-2,4,6-7,9-10H2 |
| InChIKey | IOVXNILXMLJCRA-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 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 | 3OrPcX4EziH |
|---|---|
| Name | Glutaric acid, cyclopentyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c17-12-5-3-8-14(11-12)21-16(19)10-4-9-15(18)20-13-6-1-2-7-13/h3,5,8,11,13H,1-2,4,6-7,9-10H2 |
| InChIKey | IOVXNILXMLJCRA-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1CCCC1)=O |