| SpectraBase Compound ID | 9IP955fDa38 |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-15-13-22-11-8-17(15)21/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3/t16-,18-,20+/m0/s1 |
| InChIKey | RYPAZIHFMJWVQR-XKGZKEIXSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GSJkbv3quQ4 |
|---|---|
| Name | Ottensinin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-15-13-22-11-8-17(15)21/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3/t16-,18-,20+/m0/s1 |
| InChIKey | RYPAZIHFMJWVQR-XKGZKEIXSA-N |
| SMILES | CC1([C@@]2([H])[C@@](CCC1)(C)[C@](C(CC2)=C)(CC1=COC=CC1=O)[H])C |