| SpectraBase Compound ID | FaanHKwLnbk |
|---|---|
| InChI | InChI=1S/C10H18/c1-5-8-9-10(4,6-2)7-3/h5-7H2,1-4H3 |
| InChIKey | YHNZUFTUGJAEPN-UHFFFAOYSA-N |
| Mol Weight | 138.25 g/mol |
| Molecular Formula | C10H18 |
| Exact Mass | 138.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JaIePQ3sfmi |
|---|---|
| Name | 3-Heptyne, 5-ethyl-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.140850580 u |
| Formula | C10H18 |
| InChI | InChI=1S/C10H18/c1-5-8-9-10(4,6-2)7-3/h5-7H2,1-4H3 |
| InChIKey | YHNZUFTUGJAEPN-UHFFFAOYSA-N |
| Molecular Weight | 138.254 g/mol |
| SMILES | C(C(CC)(CC)C)#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901237 |