| SpectraBase Compound ID | IrIc14pU2mr |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-10(17)19-14(15(2,3)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16,18H,8H2,1-3H3 |
| InChIKey | GZOHDFSRJPDCOT-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpjWkezIolL |
|---|---|
| Name | Tanakine - acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-10(17)19-14(15(2,3)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16,18H,8H2,1-3H3 |
| InChIKey | GZOHDFSRJPDCOT-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C1(=CNC2=C1C=CC=C2)CC(OC(=O)C)C(O)(C)C |