| SpectraBase Compound ID | AJEoypkLnU5 |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-9(2)15(4)10(3)14(16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,8H2,1-4H3 |
| InChIKey | JHGGWNLCNDWXFX-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1CAmOvjNAL |
|---|---|
| Name | N,N-Isopropyl-methyl-3,4-methylenedioxycathinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-9(2)15(4)10(3)14(16)11-5-6-12-13(7-11)18-8-17-12/h5-7,9-10H,8H2,1-4H3 |
| InChIKey | JHGGWNLCNDWXFX-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | C=1(C(C(N(C(C)C)C)C)=O)C=C2C(=CC1)OCO2 |