| SpectraBase Compound ID | 8ap1bgNccrr |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-9-17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h3-8H,2,9H2,1H3 |
| InChIKey | OVDHKYNXUCBNMQ-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTbOyDZTKU8 |
|---|---|
| Name | 3-Pyrroline-2,5-dione, 1-(4-propoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-2-9-17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h3-8H,2,9H2,1H3 |
| InChIKey | OVDHKYNXUCBNMQ-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | CCCOC1=CC=C(N2C(C=CC2=O)=O)C=C1 |