| SpectraBase Compound ID | 4LM1sHVQGI3 |
|---|---|
| InChI | InChI=1S/C22H24O3/c1-16(2)10-13-21-19(12-11-18-8-6-5-7-9-18)14-20(25-17(3)23)15-22(21)24-4/h5-12,14-15H,13H2,1-4H3/b12-11+ |
| InChIKey | CLIHCDJVYVWTIO-VAWYXSNFSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C22H24O3 |
| Exact Mass | 336.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cl09mgSPNp5 |
|---|---|
| Name | Longistyline C, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.172544630 u |
| Formula | C22H24O3 |
| InChI | InChI=1S/C22H24O3/c1-16(2)10-13-21-19(12-11-18-8-6-5-7-9-18)14-20(25-17(3)23)15-22(21)24-4/h5-12,14-15H,13H2,1-4H3/b12-11+ |
| InChIKey | CLIHCDJVYVWTIO-VAWYXSNFSA-N |
| Molecular Weight | 336.431 g/mol |
| SMILES | C(C)(=O)OC1=CC(=C(C(=C1)\C=C\C1=CC=CC=C1)CC=C(C)C)OC |