| SpectraBase Spectrum ID |
JBwb4eMe7up |
| Name |
.beta.-Acetyl-.gamma.-hexyl-.gamma.-butyrolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-3-4-5-6-7-11-10(9(2)13)8-12(14)15-11/h10-11H,3-8H2,1-2H3 |
| InChIKey |
QUKKJZIZMZHSEA-UHFFFAOYSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C1(CC(C(CCCCCC)O1)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813168 |
