| SpectraBase Compound ID | LenmyFFCWzO |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-10(15)13-9-6-12-11(16-7-17-12)5-8(9)3-4-14-13/h5-6H,2-4,7H2,1H3 |
| InChIKey | BZUXHYBEDXQKBO-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6Eissz2gi4x |
|---|---|
| Name | 1-Propionyl-6,7-(methylenedioxy)-3,4-dihydroisoquinoline |
| 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/c1-2-10(15)13-9-6-12-11(16-7-17-12)5-8(9)3-4-14-13/h5-6H,2-4,7H2,1H3 |
| InChIKey | BZUXHYBEDXQKBO-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C1=2C(=NCCC2C=C2OCOC2=C1)C(=O)CC |