| SpectraBase Compound ID | FEsLywpESMz |
|---|---|
| InChI | InChI=1S/2C10H16/c2*1-8(2)6-7-10(5)9(3)4/h2*8-9H,5H2,1-4H3 |
| InChIKey | BTSQDZAOEPXUBQ-UHFFFAOYSA-N |
| Mol Weight | 272.48 g/mol |
| Molecular Formula | C20H32 |
| Exact Mass | 272.250401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4GfV2TQUbLt |
|---|---|
| Name | 5-Methyl-2-isopropylhexen-3-yne dimer |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.250401030 u |
| Formula | C20H32 |
| InChI | InChI=1S/2C10H16/c2*1-8(2)6-7-10(5)9(3)4/h2*8-9H,5H2,1-4H3 |
| InChIKey | BTSQDZAOEPXUBQ-UHFFFAOYSA-N |
| Molecular Weight | 272.476 g/mol |
| SMILES | C(#CC(C)C)C(=C)C(C)C.C(#CC(C)C)C(=C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951483 |