| SpectraBase Compound ID | 7iWFd1JNeEu |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-16(18)14-20-15(2)17/h3,6-14H2,1-2H3 |
| InChIKey | JKUZFGVJIGLVNV-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 | EXIgKwC2UMR |
|---|---|
| Name | Acetoxyacetic acid, dodec-9-ynyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-19-16(18)14-20-15(2)17/h3,6-14H2,1-2H3 |
| InChIKey | JKUZFGVJIGLVNV-UHFFFAOYSA-N |
| SMILES | CC(OCC(OCCCCCCCCC#CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859873 |