| SpectraBase Compound ID | Ez3myJjAoj7 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-5-14-6-8-16-15-7-9-18(22)21(3,13-11-19(23)24-4)17(15)10-12-20(14,16)2/h5,14-17H,1,6-13H2,2-4H3/t14-,15-,16-,17-,20+,21+/m0/s1 |
| InChIKey | RFLXJVIJRIVFGE-OPLYSGQSSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JAuHaJuDoAg |
|---|---|
| Name | Muricenone B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-5-14-6-8-16-15-7-9-18(22)21(3,13-11-19(23)24-4)17(15)10-12-20(14,16)2/h5,14-17H,1,6-13H2,2-4H3/t14-,15-,16-,17-,20+,21+/m0/s1 |
| InChIKey | RFLXJVIJRIVFGE-OPLYSGQSSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC(=O)OC)C)=O)[H])(CC[C@@]1(C=C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937683 |