| SpectraBase Compound ID | v0dhrwMvZ9 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)18-14-15/h15H,2-14H2,1H3/t15-/m0/s1 |
| InChIKey | BXUAFPXADZNGNU-HNNXBMFYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
| SpectraBase Spectrum ID | ARR0PrIFjTV |
|---|---|
| Name | (S)-(+)-muscolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)18-14-15/h15H,2-14H2,1H3/t15-/m0/s1 |
| InChIKey | BXUAFPXADZNGNU-HNNXBMFYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C1(OC[C@@](C)(CCCCCCCCCCCC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961143 |