| SpectraBase Compound ID | 4nL4BX7UlX7 |
|---|---|
| InChI | InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m1/s1 |
| InChIKey | KPKLYXVMHOVJJL-UQOMUDLDSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWUpa6dJHmV |
|---|---|
| Name | .beta.-Isocomene |
| 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/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m1/s1 |
| InChIKey | KPKLYXVMHOVJJL-UQOMUDLDSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | [C@]12([C@@]3([C@](CCC3)(C)CC1=C)[C@](C)(CC2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885207 |