| SpectraBase Compound ID | 41Ue2q2uVF3 |
|---|---|
| InChI | InChI=1S/C18H23NO2/c1-17(2,20)8-7-12-5-6-15-14(9-12)13(11-19-15)10-16-18(3,4)21-16/h5-9,11,16,19-20H,10H2,1-4H3/b8-7+ |
| InChIKey | XGVSTWLICQYKIZ-BQYQJAHWSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C18H23NO2 |
| Exact Mass | 285.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EP8ylU2Ns3I |
|---|---|
| Name | 3,5-Hexalobine E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.172878983 u |
| Formula | C18H23NO2 |
| InChI | InChI=1S/C18H23NO2/c1-17(2,20)8-7-12-5-6-15-14(9-12)13(11-19-15)10-16-18(3,4)21-16/h5-9,11,16,19-20H,10H2,1-4H3/b8-7+ |
| InChIKey | XGVSTWLICQYKIZ-BQYQJAHWSA-N |
| SMILES | C1(OC1CC=1C2=C(C=CC(\C=C\C(O)(C)C)=C2)NC1)(C)C |