| SpectraBase Compound ID | GnA5eN1kaNe |
|---|---|
| InChI | InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8+,17-12+,18-11+ |
| InChIKey | HTWXQGABXITTNW-SZPHWZFISA-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 | KNgLzWsgcSl |
|---|---|
| Name | 13-Hydroxyneocembrene |
| 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(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8+,17-12+,18-11+ |
| InChIKey | HTWXQGABXITTNW-SZPHWZFISA-N |
| Molecular Weight | 288.475 g/mol |
| SMILES | C1\C=C\(CC\C=C\(CC\C=C\(CC(C1C(C)=C)O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89131 |