| SpectraBase Compound ID | 7gPt985Q8sq |
|---|---|
| InChI | InChI=1S/C17H24N2O3/c1-12(2)11-22-17(21)19-10-13(7-8-18(3)4)15-9-14(20)5-6-16(15)19/h5-6,9-10,12,20H,7-8,11H2,1-4H3 |
| InChIKey | JDLLRLZRRKNMQA-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C17H24N2O3 |
| Exact Mass | 304.178693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LESEoEg249 |
|---|---|
| Name | Bufotenine ibcf |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.178692638 u |
| Formula | C17H24N2O3 |
| InChI | InChI=1S/C17H24N2O3/c1-12(2)11-22-17(21)19-10-13(7-8-18(3)4)15-9-14(20)5-6-16(15)19/h5-6,9-10,12,20H,7-8,11H2,1-4H3 |
| InChIKey | JDLLRLZRRKNMQA-UHFFFAOYSA-N |
| Molecular Weight | 304.390 g/mol |
| SMILES | C=12C(C(=CN2C(OCC(C)C)=O)CCN(C)C)=CC(=CC1)O |