| SpectraBase Compound ID | 48P0waUKCfe |
|---|---|
| InChI | InChI=1S/C20H34O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h14-16,21H,5-13H2,1-4H3/t14-,15?,16+,18-,19-,20-/m0/s1 |
| InChIKey | REGKTWSAENSCPF-QWYICFJGSA-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 | 6NY2LHTEWAA |
|---|---|
| Name | Demalonyl-thyrsiflorin-A |
| 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/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h14-16,21H,5-13H2,1-4H3/t14-,15?,16+,18-,19-,20-/m0/s1 |
| InChIKey | REGKTWSAENSCPF-QWYICFJGSA-N |
| SMILES | [C@@]1(O)([C@]2(CC[C@@]3([C@@](CCC4C(CCC[C@]34C)(C)C)(C1)[H])C2)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813663 |