| SpectraBase Spectrum ID |
ErO9u7VQPS9 |
| Name |
4-[[4-Ethoxycarbonyl)-trans-3-butenyl]oxy]-6-methyl-2-pyrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-3-16-12(14)6-4-5-7-17-11-8-10(2)18-13(15)9-11/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey |
KNFKUGMUALWJOI-GQCTYLIASA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C=1C(OC(=CC1OCC\C=C\C(=O)OCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892898 |
![4-[[4-Ethoxycarbonyl)-trans-3-butenyl]oxy]-6-methyl-2-pyrone](/api/spectrum/ErO9u7VQPS9/structure.png?h=300&w=458 "4-[[4-Ethoxycarbonyl)-trans-3-butenyl]oxy]-6-methyl-2-pyrone")
