| SpectraBase Spectrum ID |
8zYEQup8fC5 |
| Name |
Ethyl (2E,8E)-9-[(5S)-5-methyl-2,5-dihydro-2-oxo-3-furanyl]nona-2,8-dienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-3-19-15(17)11-9-7-5-4-6-8-10-14-12-13(2)20-16(14)18/h8-13H,3-7H2,1-2H3/b10-8+,11-9+/t13-/m0/s1 |
| InChIKey |
VXYPLZLNTVUPDM-BNEUVSEWSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1(C(=C[C@@](O1)(C)[H])\C=C\CCCC\C=C\C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887904 |
![Ethyl (2E,8E)-9-[(5S)-5-methyl-2,5-dihydro-2-oxo-3-furanyl]nona-2,8-dienoate](/api/spectrum/8zYEQup8fC5/structure.png?h=300&w=458 "Ethyl (2E,8E)-9-[(5S)-5-methyl-2,5-dihydro-2-oxo-3-furanyl]nona-2,8-dienoate")
