| SpectraBase Compound ID | OXVRNniPJz |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c1-10(2)9-19-14(17)12-5-3-11(4-6-12)13(16)18-8-7-15/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | RDVWHEJLWUJHRJ-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7bS4LFh9Jn |
|---|---|
| Name | Terephthalic acid, 2-chloroethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c1-10(2)9-19-14(17)12-5-3-11(4-6-12)13(16)18-8-7-15/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | RDVWHEJLWUJHRJ-UHFFFAOYSA-N |
| SMILES | C(COC(=O)C1=CC=C(C(OCC(C)C)=O)C=C1)Cl |