| SpectraBase Compound ID | 8wMKlJkQDV7 |
|---|---|
| InChI | InChI=1S/C13H14Cl2O4/c1-2-7-18-12(16)9-5-3-4-6-10(9)13(17)19-8-11(14)15/h3-6,11H,2,7-8H2,1H3 |
| InChIKey | PJHMRLLNEJMCHO-UHFFFAOYSA-N |
| Mol Weight | 305.16 g/mol |
| Molecular Formula | C13H14Cl2O4 |
| Exact Mass | 304.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8VUc4VDvDZ |
|---|---|
| Name | Phthalic acid, 2,2-dichloroethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.026914327 u |
| Formula | C13H14Cl2O4 |
| InChI | InChI=1S/C13H14Cl2O4/c1-2-7-18-12(16)9-5-3-4-6-10(9)13(17)19-8-11(14)15/h3-6,11H,2,7-8H2,1H3 |
| InChIKey | PJHMRLLNEJMCHO-UHFFFAOYSA-N |
| Molecular Weight | 305.157 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCCC)C(OCC(Cl)Cl)=O |