| SpectraBase Compound ID | 50K9x7IAV7I |
|---|---|
| InChI | InChI=1S/C19H19ClO5/c1-2-11-24-18(21)14-7-3-4-8-15(14)19(22)25-13-12-23-17-10-6-5-9-16(17)20/h3-10H,2,11-13H2,1H3 |
| InChIKey | OUQNKOGFHJMGBR-UHFFFAOYSA-N |
| Mol Weight | 362.81 g/mol |
| Molecular Formula | C19H19ClO5 |
| Exact Mass | 362.092101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aefowwur1lq |
|---|---|
| Name | Phthalic acid, 2-(4-chlorophenoxy)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.092101407 u |
| Formula | C19H19ClO5 |
| InChI | InChI=1S/C19H19ClO5/c1-2-11-24-18(21)14-7-3-4-8-15(14)19(22)25-13-12-23-17-10-6-5-9-16(17)20/h3-10H,2,11-13H2,1H3 |
| InChIKey | OUQNKOGFHJMGBR-UHFFFAOYSA-N |
| Molecular Weight | 362.809 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCC)=O |