| SpectraBase Compound ID | 5gbSzuclGYw |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h8H,4-5H2,1-3H3 |
| InChIKey | UCTGGLKZKKZBNO-UHFFFAOYSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LpFyazGBuAO |
|---|---|
| Name | 3-Heptyne, 5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.109550451 u |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h8H,4-5H2,1-3H3 |
| InChIKey | UCTGGLKZKKZBNO-UHFFFAOYSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C(C(CC)C)#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962289 |