| SpectraBase Compound ID | 1ByYDAzA2AC |
|---|---|
| InChI | InChI=1S/C18H26N2O3/c1-13(2)12-23-18(21)20-11-14(8-9-19(3)4)16-10-15(22-5)6-7-17(16)20/h6-7,10-11,13H,8-9,12H2,1-5H3 |
| InChIKey | DLMABHFOMUSPGB-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C18H26N2O3 |
| Exact Mass | 318.194343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3LfeU8To5a |
|---|---|
| Name | Bufotenine me,ibcf |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.194342702 u |
| Formula | C18H26N2O3 |
| InChI | InChI=1S/C18H26N2O3/c1-13(2)12-23-18(21)20-11-14(8-9-19(3)4)16-10-15(22-5)6-7-17(16)20/h6-7,10-11,13H,8-9,12H2,1-5H3 |
| InChIKey | DLMABHFOMUSPGB-UHFFFAOYSA-N |
| Molecular Weight | 318.417 g/mol |
| SMILES | C=12C(C(=CN2C(OCC(C)C)=O)CCN(C)C)=CC(=CC1)OC |