| SpectraBase Compound ID | FaXlj8LGBb5 |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-3-6-14-9(2)13(15)10-4-5-11-12(7-10)17-8-16-11/h4-5,7,9,14H,3,6,8H2,1-2H3 |
| InChIKey | YFVKHKCZBSGZPE-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FbDIylCUw7 |
|---|---|
| Name | 3',4'-Methylenedioxy-N-propylaminocathinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-3-6-14-9(2)13(15)10-4-5-11-12(7-10)17-8-16-11/h4-5,7,9,14H,3,6,8H2,1-2H3 |
| InChIKey | YFVKHKCZBSGZPE-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C12=CC(C(C(C)NCCC)=O)=CC=C2OCO1 |