| SpectraBase Compound ID | 2bpikWWciBJ |
|---|---|
| InChI | InChI=1S/C20H21ClO4/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h5-8,10-13H,2-4,9,14H2,1H3 |
| InChIKey | UOEVOJTXHPZXJS-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 | ApRwTnhjBUr |
|---|---|
| Name | Phthalic acid, 2-chlorophenyl hexyl 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/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h5-8,10-13H,2-4,9,14H2,1H3 |
| InChIKey | UOEVOJTXHPZXJS-UHFFFAOYSA-N |
| Molecular Weight | 360.837 g/mol |
| SMILES | CCCCCCOC(C1=C(C(OC2=C(C=CC=C2)Cl)=O)C=CC=C1)=O |