| SpectraBase Compound ID | 83NMaLeqPIy |
|---|---|
| InChI | 1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13?,14-,15+/m1/s1 |
| InChIKey | XUEHVOLRMXNRKQ-WQGXVZNYSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4ossmri9ONt |
|---|---|
| Name | (-)-A-cubebene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.187800773 u |
| Formula | C15H24 |
| InChI | InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13?,14-,15+/m1/s1 |
| InChIKey | XUEHVOLRMXNRKQ-WQGXVZNYSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | [C@]123[C@@]([C@](C(C)C)(CC[C@]3(C)[H])[H])([H])C1C(C)=CC2 |
| Spectrum/Structure Validation Score (Raman) | 0.988743 |