| SpectraBase Compound ID | 8FLgSTlaYIm |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3 |
| InChIKey | KKDKBSQRNCPFCM-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 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 | FhWSQQcqAAN |
|---|---|
| Name | 5-(4-Methoxyphenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3 |
| InChIKey | KKDKBSQRNCPFCM-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C=1(ON=CC1)C=1C=CC(=CC1)OC |