| SpectraBase Compound ID | 2LyuD8k3HqU |
|---|---|
| InChI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,12-15H,1,6-9H2,2-4H3 |
| InChIKey | MYMGHSODBQFSOR-UHFFFAOYSA-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 | 4DHjfe030cC |
|---|---|
| Name | Guaia-9,11-diene |
| 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/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,12-15H,1,6-9H2,2-4H3 |
| InChIKey | MYMGHSODBQFSOR-UHFFFAOYSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | C1CC2C(=CCC(CC2C1C)C(C)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972709 |