| SpectraBase Compound ID | 2MUBnssqFq4 |
|---|---|
| InChI | InChI=1S/C21H26N2O2/c1-4-14-13-23-10-8-15(14)11-20(23)21(25-3)17-7-9-22-19-6-5-16(24-2)12-18(17)19/h4-7,9,12,14-15,20-21H,1,8,10-11,13H2,2-3H3/t14-,15-,20+,21?/m0/s1 |
| InChIKey | QSOFUNXFUMLXCR-MDOOXIRGSA-N |
| Mol Weight | 338.45 g/mol |
| Molecular Formula | C21H26N2O2 |
| Exact Mass | 338.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8D0TpNFj1sQ |
|---|---|
| Name | Cinchonan-9-ol, 6'-methoxy-, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.199428083 u |
| Formula | C21H26N2O2 |
| InChI | InChI=1S/C21H26N2O2/c1-4-14-13-23-10-8-15(14)11-20(23)21(25-3)17-7-9-22-19-6-5-16(24-2)12-18(17)19/h4-7,9,12,14-15,20-21H,1,8,10-11,13H2,2-3H3/t14-,15-,20+,21?/m0/s1 |
| InChIKey | QSOFUNXFUMLXCR-MDOOXIRGSA-N |
| Molecular Weight | 338.451 g/mol |
| SMILES | [C@@]1(N2CC[C@@](C1)([C@](C2)(C=C)[H])[H])(C(C1=C2C(=NC=C1)C=CC(=C2)OC)OC)[H] |