| SpectraBase Compound ID | 916Dsgd77Kl |
|---|---|
| InChI | InChI=1S/C20H32O/c1-15-7-6-8-16(2)11-14-20-18(3,4)17(10-9-15)12-13-19(20,5)21-20/h8-9,17H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,19-,20+/m0/s1 |
| InChIKey | ALHQCLSKIJTMEZ-XTMKOFKBSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C20H32O |
| Exact Mass | 288.245316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DThMvyH4bPg |
|---|---|
| Name | Verticillene epoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.245315649 u |
| Formula | C20H32O |
| InChI | InChI=1S/C20H32O/c1-15-7-6-8-16(2)11-14-20-18(3,4)17(10-9-15)12-13-19(20,5)21-20/h8-9,17H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,19-,20+/m0/s1 |
| InChIKey | ALHQCLSKIJTMEZ-XTMKOFKBSA-N |
| Molecular Weight | 288.475 g/mol |
| SMILES | [C@]123O[C@]3(CC[C@@](C1(C)C)(C\C=C/(C)CC\C=C\(CC2)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862828 |