| SpectraBase Compound ID | ErfMraMt7KN |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3 |
| InChIKey | DSCLYWMYCCCNNJ-UHFFFAOYSA-N |
| Mol Weight | 332.78 g/mol |
| Molecular Formula | C18H17ClO4 |
| Exact Mass | 332.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6Z9M1xgVdS |
|---|---|
| Name | Phthalic acid, butyl 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.081536723 u |
| Formula | C18H17ClO4 |
| InChI | InChI=1S/C18H17ClO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3 |
| InChIKey | DSCLYWMYCCCNNJ-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | CCCCOC(C1=C(C(OC2=CC=C(C=C2)Cl)=O)C=CC=C1)=O |