| SpectraBase Compound ID | 54CWq5zQZGA |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-8(2)14-9(3)13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9,14H,7H2,1-3H3 |
| InChIKey | ZGELXFOIEWJEFM-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 | 8p1EMlBFjAS |
|---|---|
| Name | 3',4'-Methylenedioxy-N-isopropylaminocathinone |
| 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/c1-8(2)14-9(3)13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9,14H,7H2,1-3H3 |
| InChIKey | ZGELXFOIEWJEFM-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C12=CC(C(C(C)NC(C)C)=O)=CC=C2OCO1 |