| SpectraBase Compound ID | Fb2JuE2xINj |
|---|---|
| InChI | InChI=1S/C20H16F15NO3/c1-3-36(9(2)6-10-4-5-11-12(7-10)39-8-38-11)13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4-5,7,9H,3,6,8H2,1-2H3 |
| InChIKey | YQENUJRMKYPRMW-UHFFFAOYSA-N |
| Mol Weight | 603.33 g/mol |
| Molecular Formula | C20H16F15NO3 |
| Exact Mass | 603.089066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLS3eOAZF7V |
|---|---|
| Name | N-Ethyl-3,4-methylenedioxyamphetamine pfo |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 603.089065821 u |
| Formula | C20H16F15NO3 |
| InChI | InChI=1S/C20H16F15NO3/c1-3-36(9(2)6-10-4-5-11-12(7-10)39-8-38-11)13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4-5,7,9H,3,6,8H2,1-2H3 |
| InChIKey | YQENUJRMKYPRMW-UHFFFAOYSA-N |
| Molecular Weight | 603.328 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(N(C(CC=1C=C2C(=CC1)OCO2)C)CC)=O)(F)F)(F)F)(F)F |