| SpectraBase Compound ID | J5Vs3K2LOB1 |
|---|---|
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-7-9-12(10-8-11)16(19)21-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3 |
| InChIKey | JAEUAAHYZVVFPZ-UHFFFAOYSA-N |
| Mol Weight | 304.73 g/mol |
| Molecular Formula | C16H13ClO4 |
| Exact Mass | 304.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Q4fjzjYpEM |
|---|---|
| Name | Terephthalic acid, 2-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.050236595 u |
| Formula | C16H13ClO4 |
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-7-9-12(10-8-11)16(19)21-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3 |
| InChIKey | JAEUAAHYZVVFPZ-UHFFFAOYSA-N |
| Molecular Weight | 304.729 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=C(C=CC=C1)Cl)C |