| SpectraBase Compound ID | HXJfBy0CahB |
|---|---|
| InChI | InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,9,12H,1-2,7-8,10H2,3-4H3/b9-6+ |
| InChIKey | ZGRZQIIEVOLENL-RMKNXTFCSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2jDg82rWetK |
|---|---|
| Name | Megastigma-7(E),9,13-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,9,12H,1-2,7-8,10H2,3-4H3/b9-6+ |
| InChIKey | ZGRZQIIEVOLENL-RMKNXTFCSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C1CC(C(C(C1)=C)\C=C\C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956781 |