| SpectraBase Compound ID | JvmqtUeyAyO |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-13(2)6-5-11-22-17(20)7-4-8-18(21)23-16-10-9-15(19)12-14(16)3/h9-10,12-13H,4-8,11H2,1-3H3 |
| InChIKey | HVAQCZWXXAMVKK-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 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 | DEVN7FSuSHt |
|---|---|
| Name | Glutaric acid, isohexyl 2-methyl-4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-13(2)6-5-11-22-17(20)7-4-8-18(21)23-16-10-9-15(19)12-14(16)3/h9-10,12-13H,4-8,11H2,1-3H3 |
| InChIKey | HVAQCZWXXAMVKK-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=C(C=C1C)Cl)=O)=O |