| SpectraBase Compound ID | IHqiVcxI5wC |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-4-7-8-9-10-15-25-19(23)21(5-2,6-3)20(24)26-16-17-11-13-18(22)14-12-17/h11-14H,4-10,15-16H2,1-3H3 |
| InChIKey | CTICXOHZAZWCAN-UHFFFAOYSA-N |
| Mol Weight | 382.93 g/mol |
| Molecular Formula | C21H31ClO4 |
| Exact Mass | 382.191087 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 | 6sTNlxZLueO |
|---|---|
| Name | Diethylmalonic acid, 4-chlorobenzyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.191087174 u |
| Formula | C21H31ClO4 |
| InChI | InChI=1S/C21H31ClO4/c1-4-7-8-9-10-15-25-19(23)21(5-2,6-3)20(24)26-16-17-11-13-18(22)14-12-17/h11-14H,4-10,15-16H2,1-3H3 |
| InChIKey | CTICXOHZAZWCAN-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | CCC(C(OCCCCCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC |