| SpectraBase Spectrum ID |
Ai6I0VASVr0 |
| Name |
2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.105252913 u |
| Formula |
C13H18O7 |
| InChI |
InChI=1S/C13H18O7/c1-3-17-11(15)10(12(16)18-4-2)7-5-8(14)13-19-6-9(7)20-13/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,13+/m0/s1 |
| InChIKey |
XHQSFSOWMKXHFK-WIMUKIRHSA-N |
| SMILES |
[C@]1(C(C(=O)OCC)C(=O)OCC)([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987458 |
![2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/Ai6I0VASVr0/structure.png?h=300&w=458 "2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one")
