| SpectraBase Compound ID | G7wuCapQSL |
|---|---|
| InChI | InChI=1S/C21H23ClO4/c1-2-3-4-5-6-14-25-20(23)16-8-7-9-17(15-16)21(24)26-19-12-10-18(22)11-13-19/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | UXYQQVNSYDFGDG-UHFFFAOYSA-N |
| Mol Weight | 374.86 g/mol |
| Molecular Formula | C21H23ClO4 |
| Exact Mass | 374.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gMdEchzM9 |
|---|---|
| Name | Isophthalic acid, 4-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)16-8-7-9-17(15-16)21(24)26-19-12-10-18(22)11-13-19/h7-13,15H,2-6,14H2,1H3 |
| InChIKey | UXYQQVNSYDFGDG-UHFFFAOYSA-N |
| Molecular Weight | 374.864 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O |