| SpectraBase Compound ID | Gtkf8YwFkPY |
|---|---|
| InChI | InChI=1S/C12H11NO5/c1-7(14)17-12-5-9(13-18-12)8-2-3-10-11(4-8)16-6-15-10/h2-4,12H,5-6H2,1H3 |
| InChIKey | XGQPVYCXCAVCMG-UHFFFAOYSA-N |
| Mol Weight | 249.22 g/mol |
| Molecular Formula | C12H11NO5 |
| Exact Mass | 249.063722 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 | B4JhBL1w5Sa |
|---|---|
| Name | 3-(3',4'-Methylenedioxyphenyl)-5-acetyloxy-4,5-dihydroisoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.063722453 u |
| Formula | C12H11NO5 |
| InChI | InChI=1S/C12H11NO5/c1-7(14)17-12-5-9(13-18-12)8-2-3-10-11(4-8)16-6-15-10/h2-4,12H,5-6H2,1H3 |
| InChIKey | XGQPVYCXCAVCMG-UHFFFAOYSA-N |
| Molecular Weight | 249.222 g/mol |
| SMILES | C1(=NOC(C1)OC(=O)C)C1=CC=2OCOC2C=C1 |