SpectraBase Compound ID | HpdpXipoMad |
---|---|
InChI | InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+ |
InChIKey | YODDEHYDMMDDCV-NXAIOARDSA-N |
Mol Weight | 210.27 g/mol |
Molecular Formula | C12H18O3 |
Exact Mass | 210.125594 g/mol |
SpectraBase Spectrum ID | 8QjT6z0qV3S |
---|---|
Name | 3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(E) |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.125594437 u |
Formula | C12H18O3 |
InChI | InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+ |
InChIKey | YODDEHYDMMDDCV-NXAIOARDSA-N |
Molecular Weight | 210.273 g/mol |
SMILES | C(C)(=O)OC\C=C\(CC\C=C\(C=O)C)C |