| SpectraBase Spectrum ID |
5DVqcxxDbh6 |
| Name |
[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.188588616 u |
| Formula |
C18H28O6 |
| InChI |
InChI=1S/C18H28O6/c1-6-11(4)7-15(21)24-18-16(10(2)3)14(23-12(5)20)8-13(9-19)17(18)22/h8,10-11,14,16,18-19H,6-7,9H2,1-5H3 |
| InChIKey |
MPXXSICHRNCHHK-UHFFFAOYSA-N |
| Molecular Weight |
340.416 g/mol |
| SMILES |
C(CC(CC)C)(=O)OC1C(C(=CC(C1C(C)C)OC(=O)C)CO)=O |
![[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate](/api/spectrum/5DVqcxxDbh6/structure.png?h=300&w=458 "[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate")
