| SpectraBase Compound ID | DcoDC3wqovW |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-6-7-8-11-22-19(21)20(5-2)15(3)12-16-9-10-17-18(13-16)24-14-23-17/h9-10,13,15H,4-8,11-12,14H2,1-3H3 |
| InChIKey | QOCNZKFQOCPUOE-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9E5rVyHpLxi |
|---|---|
| Name | 3,4-Methylenedioxyethamphetamine hcf |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.209658414 u |
| Formula | C19H29NO4 |
| InChI | InChI=1S/C19H29NO4/c1-4-6-7-8-11-22-19(21)20(5-2)15(3)12-16-9-10-17-18(13-16)24-14-23-17/h9-10,13,15H,4-8,11-12,14H2,1-3H3 |
| InChIKey | QOCNZKFQOCPUOE-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | C1=2C(=CC=C(C2)CC(N(C(OCCCCCC)=O)CC)C)OCO1 |