| SpectraBase Compound ID | CoPCsY9pgfK |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-6,9-15H2,1-2H3 |
| InChIKey | NYUHFCGFRWEGFA-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5rneZmlxRDb |
|---|---|
| Name | 8-Tetradecyn-1-ol acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-6,9-15H2,1-2H3 |
| InChIKey | NYUHFCGFRWEGFA-UHFFFAOYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(C#CCCCCCCCOC(C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920908 |