| SpectraBase Compound ID | 6ersGcDGSTi |
|---|---|
| InChI | InChI=1S/C11H20/c1-6-7-8-9-11(4,5)10(2)3/h6H,1-2,7-9H2,3-5H3 |
| InChIKey | KZGBKHUIKAOEEY-UHFFFAOYSA-N |
| Mol Weight | 152.28 g/mol |
| Molecular Formula | C11H20 |
| Exact Mass | 152.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ArBqKBXrSG |
|---|---|
| Name | 1,7-Octadiene, 2,3,3-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.156500644 u |
| Formula | C11H20 |
| InChI | InChI=1S/C11H20/c1-6-7-8-9-11(4,5)10(2)3/h6H,1-2,7-9H2,3-5H3 |
| InChIKey | KZGBKHUIKAOEEY-UHFFFAOYSA-N |
| Molecular Weight | 152.281 g/mol |
| SMILES | CC(C(=C)C)(C)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932498 |