| SpectraBase Compound ID | F6jRksB8VGG |
|---|---|
| InChI | InChI=1S/C20H21ClO4/c1-14(2)6-5-13-24-19(22)17-7-3-4-8-18(17)20(23)25-16-11-9-15(21)10-12-16/h3-4,7-12,14H,5-6,13H2,1-2H3 |
| InChIKey | FQMBHCISHTXECH-UHFFFAOYSA-N |
| Mol Weight | 360.84 g/mol |
| Molecular Formula | C20H21ClO4 |
| Exact Mass | 360.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90pASB4bXNE |
|---|---|
| Name | Phthalic acid, 4-chlorophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.112836852 u |
| Formula | C20H21ClO4 |
| InChI | InChI=1S/C20H21ClO4/c1-14(2)6-5-13-24-19(22)17-7-3-4-8-18(17)20(23)25-16-11-9-15(21)10-12-16/h3-4,7-12,14H,5-6,13H2,1-2H3 |
| InChIKey | FQMBHCISHTXECH-UHFFFAOYSA-N |
| Molecular Weight | 360.837 g/mol |
| SMILES | CC(C)CCCOC(C1=CC=CC=C1C(OC1=CC=C(C=C1)Cl)=O)=O |