| SpectraBase Spectrum ID |
9GGTfxpylir |
| Name |
(E)-4-Methyl-2-[4'-(acetoxy)-2'-butenyl]-cyclohexane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-10(14)17-9-4-3-8-13(2)11(15)6-5-7-12(13)16/h3-4H,5-9H2,1-2H3/b4-3+ |
| InChIKey |
FMPJUGGHWJHJHY-ONEGZZNKSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C1(C(=O)CCCC1=O)(C\C=C\COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937221 |
![(E)-4-Methyl-2-[4'-(acetoxy)-2'-butenyl]-cyclohexane-1,3-dione](/api/spectrum/9GGTfxpylir/structure.png?h=300&w=458 "(E)-4-Methyl-2-[4'-(acetoxy)-2'-butenyl]-cyclohexane-1,3-dione")
