| SpectraBase Compound ID | 5ocRZi5YmMI |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-2-12-20-15(18)6-4-3-5-7-16(19)21-14-10-8-13(17)9-11-14/h8-11H,2-7,12H2,1H3 |
| InChIKey | PRUUGXBWBZAGGX-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 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 | 6l1zQ3fQnAB |
|---|---|
| Name | Pimelic acid, 4-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-2-12-20-15(18)6-4-3-5-7-16(19)21-14-10-8-13(17)9-11-14/h8-11H,2-7,12H2,1H3 |
| InChIKey | PRUUGXBWBZAGGX-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(OC1=CC=C(C=C1)Cl)(=O)CCCCCC(OCCC)=O |