| SpectraBase Compound ID | GPaNyfo57XB |
|---|---|
| InChI | InChI=1S/C17H17F6NO5/c1-3-27-14(26)16(20,21)17(22,23)15(18,19)13(25)24-9(2)6-10-4-5-11-12(7-10)29-8-28-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,24,25) |
| InChIKey | KHZBHOMDYCZUHW-UHFFFAOYSA-N |
| Mol Weight | 429.32 g/mol |
| Molecular Formula | C17H17F6NO5 |
| Exact Mass | 429.101092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hoAUaAbHp0 |
|---|---|
| Name | Methylenedioxyamphetamine, N-4-carbethoxyhexafluorobutyry lderiv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.101091624 u |
| Formula | C17H17F6NO5 |
| InChI | InChI=1S/C17H17F6NO5/c1-3-27-14(26)16(20,21)17(22,23)15(18,19)13(25)24-9(2)6-10-4-5-11-12(7-10)29-8-28-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,24,25) |
| InChIKey | KHZBHOMDYCZUHW-UHFFFAOYSA-N |
| Molecular Weight | 429.315 g/mol |
| SMILES | C1=CC(=CC2=C1OCO2)CC(C)NC(=O)C(F)(C(F)(C(C(=O)OCC)(F)F)F)F |