| SpectraBase Compound ID | 6IaW8sCVDyy |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-6-9-13(7-2)20-15(18)11-8-10-14(17)19-12-16(3,4)5/h13H,7-8,10-12H2,1-5H3 |
| InChIKey | CWYIPKPQIOVVBI-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DOBXstwc2vu |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-6-9-13(7-2)20-15(18)11-8-10-14(17)19-12-16(3,4)5/h13H,7-8,10-12H2,1-5H3 |
| InChIKey | CWYIPKPQIOVVBI-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818439 |