| SpectraBase Spectrum ID |
1x4xRYytVS6 |
| Name |
4,4-Dimethyl-2-oxofuran-3-yl 3-(2-oxofuran-5-yl)-3-oxopropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.089602848 u |
| Formula |
C13H16O7 |
| InChI |
InChI=1S/C13H16O7/c1-13(2)6-18-12(17)11(13)20-10(16)5-7(14)8-3-4-9(15)19-8/h8,11H,3-6H2,1-2H3/t8-,11-/m0/s1 |
| InChIKey |
BWOJWVNNSQXGHF-KWQFWETISA-N |
| SMILES |
C1([C@@](C(C)(C)CO1)(OC(CC([C@]1(OC(=O)CC1)[H])=O)=O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806504 |
