| SpectraBase Compound ID | Hicqy48JBOw |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-14(2)17-11-12-20(5)19(22-20)10-9-15(3)7-6-8-16(4)18(21)13-17/h6-8,15,17,19H,1,9-13H2,2-5H3/b7-6+,16-8-/t15-,17-,19+,20+/m1/s1 |
| InChIKey | FBCYNTCAJCSDGD-HTNFGQCZSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4HazhRAvcMe |
|---|---|
| Name | Lophodienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-14(2)17-11-12-20(5)19(22-20)10-9-15(3)7-6-8-16(4)18(21)13-17/h6-8,15,17,19H,1,9-13H2,2-5H3/b7-6+,16-8-/t15-,17-,19+,20+/m1/s1 |
| InChIKey | FBCYNTCAJCSDGD-HTNFGQCZSA-N |
| SMILES | C1(=O)C[C@](C(C)=C)(CC[C@]2([C@](CC[C@@](\C=C\C=C/1C)(C)[H])(O2)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906054 |