| SpectraBase Compound ID | JZna4qPnjAX |
|---|---|
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-7-12(2)24-17(22)8-6-9-18(23)25-16-11-14(20)13(19)10-15(16)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | YUVXQEACERRBBT-UHFFFAOYSA-N |
| Mol Weight | 409.74 g/mol |
| Molecular Formula | C18H23Cl3O4 |
| Exact Mass | 408.066192 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 | BQ7gEYa7mr2 |
|---|---|
| Name | Glutaric acid, hept-2-yl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.066192317 u |
| Formula | C18H23Cl3O4 |
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-7-12(2)24-17(22)8-6-9-18(23)25-16-11-14(20)13(19)10-15(16)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | YUVXQEACERRBBT-UHFFFAOYSA-N |
| Molecular Weight | 409.737 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O |