| SpectraBase Compound ID | 2XtjzAm4Hv5 |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-3-6-12(2)20-15(18)9-5-10-16(19)21-14-8-4-7-13(17)11-14/h3-4,7-8,11-12H,1,5-6,9-10H2,2H3 |
| InChIKey | HFBIVYABJNZZLA-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 | Dmq8v7DiPvx |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl pent-4-en-2-yl 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/c1-3-6-12(2)20-15(18)9-5-10-16(19)21-14-8-4-7-13(17)11-14/h3-4,7-8,11-12H,1,5-6,9-10H2,2H3 |
| InChIKey | HFBIVYABJNZZLA-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC(C)CC=C)=O |