| SpectraBase Compound ID | 1Gu6KX0CfxK |
|---|---|
| InChI | InChI=1S/C11H11ClO3/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h3-6H,2,7H2,1H3 |
| InChIKey | LITAOTTZRDUIKC-UHFFFAOYSA-N |
| Mol Weight | 226.66 g/mol |
| Molecular Formula | C11H11ClO3 |
| Exact Mass | 226.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzC2OXaEtQn |
|---|---|
| Name | Terephthalic acid, monochloride, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.039671911 u |
| Formula | C11H11ClO3 |
| InChI | InChI=1S/C11H11ClO3/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h3-6H,2,7H2,1H3 |
| InChIKey | LITAOTTZRDUIKC-UHFFFAOYSA-N |
| Molecular Weight | 226.659 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCC)=O)C(Cl)=O |