| SpectraBase Compound ID | HLHEEV09USI |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-3-6-13(2)23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h4-5,7-13H,3,6H2,1-2H3 |
| InChIKey | PUJFLEACYSLQQX-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 | 4wWSrBcH5Fk |
|---|---|
| Name | Phthalic acid, 4-chlorophenyl 2-pentyl 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/c1-3-6-13(2)23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h4-5,7-13H,3,6H2,1-2H3 |
| InChIKey | PUJFLEACYSLQQX-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC(CCC)C)=O |