| SpectraBase Compound ID | Lbf7cb7Q2GH |
|---|---|
| InChI | InChI=1S/C16H28/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h3-12,14H2,1-2H3 |
| InChIKey | ONYQTHNBBFPVMN-UHFFFAOYSA-N |
| Mol Weight | 220.4 g/mol |
| Molecular Formula | C16H28 |
| Exact Mass | 220.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | yEeZ4I7LjL |
|---|---|
| Name | 2-Hexyldec-1-en-3-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.219100902 u |
| Formula | C16H28 |
| InChI | InChI=1S/C16H28/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h3-12,14H2,1-2H3 |
| InChIKey | ONYQTHNBBFPVMN-UHFFFAOYSA-N |
| Molecular Weight | 220.400 g/mol |
| SMILES | C(#CCCCCCC)C(=C)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9382 |