| SpectraBase Spectrum ID |
2x2HxLfBXnK |
| Name |
Diethyl (2R,3R/S)-2-acetoxy-3-allylsuccinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.125988358 u |
| Formula |
C13H20O6 |
| InChI |
InChI=1S/C13H20O6/c1-5-8-10(12(15)17-6-2)11(19-9(4)14)13(16)18-7-3/h5,10-11H,1,6-8H2,2-4H3/t10?,11-/m1/s1 |
| InChIKey |
LJFITZKEFPCJAI-RRKGBCIJSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
C([C@](C(=O)OCC)(OC(=O)C)[H])(C(=O)OCC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930781 |
