| SpectraBase Compound ID | IJbw4CBD3e0 |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h16H,4-12,15H2,1-3H3 |
| InChIKey | VKDYHHDVGVKPJS-UHFFFAOYSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Fq6cPEvz2J |
|---|---|
| Name | 3-Methyl-2-butenoic acid, tridec-2-ynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h16H,4-12,15H2,1-3H3 |
| InChIKey | VKDYHHDVGVKPJS-UHFFFAOYSA-N |
| SMILES | CC(C)=CC(=O)OCC#CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889437 |