| SpectraBase Compound ID | B3xTFlRez1m |
|---|---|
| InChI | InChI=1S/C15H8ClNO4/c16-8-5-6-11(15(20)21)12(7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H,20,21) |
| InChIKey | ZTIKLFXPHIGNLP-UHFFFAOYSA-N |
| Mol Weight | 301.69 g/mol |
| Molecular Formula | C15H8ClNO4 |
| Exact Mass | 301.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwbwTnLD0HC |
|---|---|
| Name | 4-Chloro-2-phthalimidobenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.014185438 u |
| Formula | C15H8ClNO4 |
| InChI | InChI=1S/C15H8ClNO4/c16-8-5-6-11(15(20)21)12(7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H,20,21) |
| InChIKey | ZTIKLFXPHIGNLP-UHFFFAOYSA-N |
| Molecular Weight | 301.685 g/mol |
| SMILES | C1=CC=CC2=C1C(N(C2=O)C1=CC(=CC=C1C(=O)O)Cl)=O |