SpectraBase Spectrum ID |
F0yQGoOnr1r |
Name |
1-[4-Acetoxy-2-methyl-2-(2-oxoethyl)cyclobutyl]ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.104858991 u |
Formula |
C11H16O4 |
InChI |
InChI=1S/C11H16O4/c1-7(13)10-9(15-8(2)14)6-11(10,3)4-5-12/h5,9-10H,4,6H2,1-3H3 |
InChIKey |
TZBOKMCGNJSPEB-UHFFFAOYSA-N |
Molecular Weight |
212.245 g/mol |
SMILES |
C1(C(C(=O)C)C(C1)OC(=O)C)(CC=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975727 |