| SpectraBase Compound ID | Ah9WhGyJ08Z |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-9-23-17(21)12-5-4-6-13(10-12)18(22)24-16-8-7-14(19)11-15(16)20/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | MCVACCBINRBMMT-UHFFFAOYSA-N |
| Mol Weight | 367.23 g/mol |
| Molecular Formula | C18H16Cl2O4 |
| Exact Mass | 366.042564 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 | 7ppArfmJ4CZ |
|---|---|
| Name | Isophthalic acid, butyl 2,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.042564391 u |
| Formula | C18H16Cl2O4 |
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-9-23-17(21)12-5-4-6-13(10-12)18(22)24-16-8-7-14(19)11-15(16)20/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | MCVACCBINRBMMT-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C1=CC(OC(C2=CC(=CC=C2)C(OCCCC)=O)=O)=C(C=C1Cl)Cl |