| SpectraBase Compound ID | 766jMoQVan2 |
|---|---|
| InChI | InChI=1S/C15H23BrO/c1-9-5-6-12-10(2)14(17)13(16)11(3)15(12,4)8-7-9/h7,11,13-14,17H,5-6,8H2,1-4H3/t11-,13+,14+,15+/m0/s1 |
| InChIKey | IQWBLQKYJOBMDF-ZGKBOVNRSA-N |
| Mol Weight | 299.25 g/mol |
| Molecular Formula | C15H23BrO |
| Exact Mass | 298.093228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9dLRzK8yEcU |
|---|---|
| Name | Perforenol B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.093228360 u |
| Formula | C15H23BrO |
| InChI | InChI=1S/C15H23BrO/c1-9-5-6-12-10(2)14(17)13(16)11(3)15(12,4)8-7-9/h7,11,13-14,17H,5-6,8H2,1-4H3/t11-,13+,14+,15+/m0/s1 |
| InChIKey | IQWBLQKYJOBMDF-ZGKBOVNRSA-N |
| SMILES | C1=2[C@@]([C@@](C)([C@]([C@@](C2C)(O)[H])(Br)[H])[H])(CC=C(CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938939 |