| SpectraBase Compound ID | JKakSGr0Ber |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-2-3-11-22-17(20)13-7-9-14(10-8-13)18(21)23-16-6-4-5-15(19)12-16/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | VGUMHARTXDQODD-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 | DvdBLWSHBtp |
|---|---|
| Name | Terephthalic acid, butyl 3-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/c1-2-3-11-22-17(20)13-7-9-14(10-8-13)18(21)23-16-6-4-5-15(19)12-16/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | VGUMHARTXDQODD-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCC)=O)C(OC1=CC(=CC=C1)Cl)=O |