| SpectraBase Compound ID | E2ooyMdO039 |
|---|---|
| InChI | InChI=1S/C21H23ClO4/c1-2-3-4-5-6-14-25-20(23)16-10-12-17(13-11-16)21(24)26-19-9-7-8-18(22)15-19/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | LJOIWMWFBLBASO-UHFFFAOYSA-N |
| Mol Weight | 374.86 g/mol |
| Molecular Formula | C21H23ClO4 |
| Exact Mass | 374.128487 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 | 5Q4m4TPf1MZ |
|---|---|
| Name | Terephthalic acid, 3-chlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.128486917 u |
| Formula | C21H23ClO4 |
| InChI | InChI=1S/C21H23ClO4/c1-2-3-4-5-6-14-25-20(23)16-10-12-17(13-11-16)21(24)26-19-9-7-8-18(22)15-19/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | LJOIWMWFBLBASO-UHFFFAOYSA-N |
| Molecular Weight | 374.864 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OC1=CC=CC(=C1)Cl)=O |