| SpectraBase Compound ID | Jirw7uxdcvb |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-11-22-16(20)7-5-4-6-8-17(21)23-15-12-13(18)9-10-14(15)19/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | ASQHVUJUFWJDQS-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 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 | BNvX6ftZDmK |
|---|---|
| Name | Pimelic acid, butyl 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-11-22-16(20)7-5-4-6-8-17(21)23-15-12-13(18)9-10-14(15)19/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | ASQHVUJUFWJDQS-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCCC(OCCCC)=O)CC(OC=1C=C(C=CC1Cl)Cl)=O |