| SpectraBase Compound ID | B3sGKiBjtjR |
|---|---|
| InChI | InChI=1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | DYESHNNFAFXIKV-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C14H18N2O5 |
| Exact Mass | 294.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ms0ca6zEGa |
|---|---|
| Name | Bufotenine monooxalate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.121571683 u |
| Formula | C14H18N2O5 |
| InChI | InChI=1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | DYESHNNFAFXIKV-UHFFFAOYSA-N |
| Molecular Weight | 294.307 g/mol |
| SMILES | CN(C)CCC=1C2=C(C=CC(=C2)O)NC1.C(O)(C(O)=O)=O |