| SpectraBase Compound ID | 8QlnvG1xm6H |
|---|---|
| InChI | InChI=1S/C18H23F3N2O2/c1-11(2)23(12(3)4)9-8-13-10-22-14-6-5-7-15(16(13)14)25-17(24)18(19,20)21/h5-7,10-12,22H,8-9H2,1-4H3 |
| InChIKey | VMEIIKJMQBNDRG-UHFFFAOYSA-N |
| Mol Weight | 356.39 g/mol |
| Molecular Formula | C18H23F3N2O2 |
| Exact Mass | 356.171162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTahqigDAKE |
|---|---|
| Name | N,N-Diisopropyl-4-hydroxytryptamine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.171162476 u |
| Formula | C18H23F3N2O2 |
| InChI | InChI=1S/C18H23F3N2O2/c1-11(2)23(12(3)4)9-8-13-10-22-14-6-5-7-15(16(13)14)25-17(24)18(19,20)21/h5-7,10-12,22H,8-9H2,1-4H3 |
| InChIKey | VMEIIKJMQBNDRG-UHFFFAOYSA-N |
| Molecular Weight | 356.389 g/mol |
| SMILES | C=12C(NC=C2CCN(C(C)C)C(C)C)=CC=CC1OC(C(F)(F)F)=O |