| SpectraBase Compound ID | AYGbL17E8WQ |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H,15H2 |
| InChIKey | VIRDYRPKKYCAJQ-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92vBIb1HUJY |
|---|---|
| Name | 2-Amino-benzoic acid 4-chloro-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.040006264 u |
| Formula | C13H10ClNO2 |
| InChI | InChI=1S/C13H10ClNO2/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H,15H2 |
| InChIKey | VIRDYRPKKYCAJQ-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | C(C1=C(N)C=CC=C1)(OC1=CC=C(C=C1)Cl)=O |