| SpectraBase Compound ID | H8B036xB4a3 |
|---|---|
| InChI | InChI=1S/C12H22/c1-5-7-11(3)9-10-12(4)8-6-2/h3-10H2,1-2H3 |
| InChIKey | REYJNRJXWJOTQR-UHFFFAOYSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8KzgHPDKwOY |
|---|---|
| Name | 1,5-Hexadiene, 2,5-dipropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.172150708 u |
| Formula | C12H22 |
| InChI | InChI=1S/C12H22/c1-5-7-11(3)9-10-12(4)8-6-2/h3-10H2,1-2H3 |
| InChIKey | REYJNRJXWJOTQR-UHFFFAOYSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C=C(CCC(CCC)=C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92651 |