| SpectraBase Compound ID | 5O7kJB6QDbV |
|---|---|
| InChI | InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4+ |
| InChIKey | YIPBMFCRAFHCPQ-RUDMXATFSA-N |
| Mol Weight | 231.21 g/mol |
| Molecular Formula | C12H9NO4 |
| Exact Mass | 231.053158 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 | DoG5BQnShRV |
|---|---|
| Name | (4E)-2-Methyl-4-piperonylidene-2-oxazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.053157770 u |
| Formula | C12H9NO4 |
| InChI | InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4+ |
| InChIKey | YIPBMFCRAFHCPQ-RUDMXATFSA-N |
| Molecular Weight | 231.207 g/mol |
| SMILES | C1(=N\C(C(O1)=O)=C/C=1C=C2OCOC2=CC1)C |