| SpectraBase Spectrum ID |
3bFePMg2LCl |
| Name |
Methyl (3rs)-3-acetoxy-2-[(rs)-1-acetoxyethyl]butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.110338294 u |
| Formula |
C11H18O6 |
| InChI |
InChI=1S/C11H18O6/c1-6(16-8(3)12)10(11(14)15-5)7(2)17-9(4)13/h6-7,10H,1-5H3 |
| InChIKey |
FYUIKGMHWIXWDP-UHFFFAOYSA-N |
| Molecular Weight |
246.259 g/mol |
| SMILES |
C(C(C(C)OC(=O)C)C(C)OC(=O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926147 |
![Methyl (3rs)-3-acetoxy-2-[(rs)-1-acetoxyethyl]butanoate](/api/spectrum/3bFePMg2LCl/structure.png?h=300&w=458 "Methyl (3rs)-3-acetoxy-2-[(rs)-1-acetoxyethyl]butanoate")
