![Benzoic acid, 2-[5-(4-chlorophenyl)-3-isoxazolyl]-](/api/spectrum/IOMjcUPTLAS/structure.png?h=300&w=458 "Benzoic acid, 2-[5-(4-chlorophenyl)-3-isoxazolyl]-")
| SpectraBase Compound ID | 3zzZkHJd0BO |
|---|---|
| InChI | InChI=1S/C16H10ClNO3/c17-11-7-5-10(6-8-11)15-9-14(18-21-15)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,19,20) |
| InChIKey | CWYTZOVUPSLWEY-UHFFFAOYSA-N |
| Mol Weight | 299.71 g/mol |
| Molecular Formula | C16H10ClNO3 |
| Exact Mass | 299.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOMjcUPTLAS |
|---|---|
| Name | Benzoic acid, 2-[5-(4-chlorophenyl)-3-isoxazolyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.034920883 u |
| Formula | C16H10ClNO3 |
| InChI | InChI=1S/C16H10ClNO3/c17-11-7-5-10(6-8-11)15-9-14(18-21-15)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,19,20) |
| InChIKey | CWYTZOVUPSLWEY-UHFFFAOYSA-N |
| SMILES | C1(=NOC(=C1)C=1C=CC(=CC1)Cl)C=1C(C(=O)O)=CC=CC1 |