| SpectraBase Compound ID | GtXtNPFmmnu |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-15(2,3)8-21-12(19)4-5-13(20)22-14-10(17)6-9(16)7-11(14)18/h6-7H,4-5,8H2,1-3H3 |
| InChIKey | KJJILITUVBWDOM-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 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 | D2w4mJOrv6T |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-15(2,3)8-21-12(19)4-5-13(20)22-14-10(17)6-9(16)7-11(14)18/h6-7H,4-5,8H2,1-3H3 |
| InChIKey | KJJILITUVBWDOM-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(C)(C)C)=O |