| SpectraBase Compound ID | DYdpwp3nbgN |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-9,14H2,1-2H3 |
| InChIKey | UQNJJXLLQHFBJO-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | k6vFjpDNlJ |
|---|---|
| Name | Methyl 3,5-tetradecadiynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-9,14H2,1-2H3 |
| InChIKey | UQNJJXLLQHFBJO-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(C#CC#CCCCCCCCC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930031 |