SpectraBase Spectrum ID |
9eOUDRIBo9u |
Name |
[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.172938551 u |
Formula |
C17H26O6 |
InChI |
InChI=1S/C17H26O6/c1-9(2)6-14(20)23-17-15(10(3)4)13(22-11(5)19)7-12(8-18)16(17)21/h7,9-10,13,15,17-18H,6,8H2,1-5H3 |
InChIKey |
IVEJMWCGEFICJC-UHFFFAOYSA-N |
Molecular Weight |
326.389 g/mol |
SMILES |
C(CC(C)C)(=O)OC1C(C(=CC(C1C(C)C)OC(=O)C)CO)=O |