| SpectraBase Compound ID | IZNp4H4bhom |
|---|---|
| InChI | InChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3 |
| InChIKey | QDMSFKKRLBUFHN-UHFFFAOYSA-N |
| Mol Weight | 237.64 g/mol |
| Molecular Formula | C11H8ClNO3 |
| Exact Mass | 237.019271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8bTKtlQ7AI0 |
|---|---|
| Name | Isoxazole-3-carboxylic acid, 5-(4-chlorophenyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.019270819 u |
| Formula | C11H8ClNO3 |
| InChI | InChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3 |
| InChIKey | QDMSFKKRLBUFHN-UHFFFAOYSA-N |
| Molecular Weight | 237.642 g/mol |
| SMILES | C1=CC(=CC=C1C1=CC(C(=O)OC)=NO1)Cl |