| SpectraBase Compound ID | KCUaWswHTKV |
|---|---|
| InChI | InChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3/t14?,15-,16-,17+,18-,19+,20+/m0/s1 |
| InChIKey | OPVUAGGKMBXOGV-IQWJVPKTSA-N |
| Mol Weight | 290.5 g/mol |
| Molecular Formula | C20H34O |
| Exact Mass | 290.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | dKC9rF5otz |
|---|---|
| Name | 11-Desoxy-3-desoxomutilin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.260965714 u |
| Formula | C20H34O |
| InChI | InChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3/t14?,15-,16-,17+,18-,19+,20+/m0/s1 |
| InChIKey | OPVUAGGKMBXOGV-IQWJVPKTSA-N |
| SMILES | [C@]12([C@]3(C(CC[C@]2(CCC1)[C@](C[C@@](C[C@]3(O)[H])(C=C)C)(C)[H])C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849642 |