| SpectraBase Compound ID | 8FgeOglx1Xi |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-3-4-9-19-14(17)12-5-7-13(8-6-12)15(18)20-10-11(2)16/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | DHOOBYDBBTWSFJ-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sBGVxtWAGn |
|---|---|
| Name | Terephthalic acid, butyl 2-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-3-4-9-19-14(17)12-5-7-13(8-6-12)15(18)20-10-11(2)16/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | DHOOBYDBBTWSFJ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCC)=O |