| SpectraBase Compound ID | IddL5XprN0c |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-2-12-23-18(21)16-5-3-4-6-17(16)19(22)24-13-11-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | ABWNRHDAFMIJCI-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XeNZbUwQIZ |
|---|---|
| Name | Phthalic acid, 2-(4-chlorophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-2-12-23-18(21)16-5-3-4-6-17(16)19(22)24-13-11-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | ABWNRHDAFMIJCI-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Cl)=O)(OCCC)=O |