| SpectraBase Compound ID | 7pyV3ZQVGXJ |
|---|---|
| InChI | InChI=1S/C20H30O/c1-14(2)19-17-10-9-15(3)7-6-8-16(4)11-12-20(17,5)13-18(19)21/h7,11,17H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,20+/m0/s1 |
| InChIKey | YETBHHZORHIONL-SYBWJXMYSA-N |
| Mol Weight | 286.46 g/mol |
| Molecular Formula | C20H30O |
| Exact Mass | 286.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EN7h7cNJipu |
|---|---|
| Name | Dolabellatrienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.229665585 u |
| Formula | C20H30O |
| InChI | InChI=1S/C20H30O/c1-14(2)19-17-10-9-15(3)7-6-8-16(4)11-12-20(17,5)13-18(19)21/h7,11,17H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,20+/m0/s1 |
| InChIKey | YETBHHZORHIONL-SYBWJXMYSA-N |
| SMILES | C1(C(C[C@@]2([C@]1(CC\C(=C\CC\C(=C\C2)C)C)[H])C)=O)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853875 |