| SpectraBase Spectrum ID |
JelrCUmotrR |
| Name |
Diethyl (1'rs,2'sr,3'rs,4'sr)-2-[2',3'-dihydroxy-4'-(hydroxymethyl)cyclopent-2'-enyl]propanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.136553041 u |
| Formula |
C13H22O7 |
| InChI |
InChI=1S/C13H22O7/c1-3-19-12(17)9(13(18)20-4-2)8-5-7(6-14)10(15)11(8)16/h7-11,14-16H,3-6H2,1-2H3 |
| InChIKey |
KPVYIXCRAMRLHD-UHFFFAOYSA-N |
| SMILES |
C1(C(C(=O)OCC)C(=O)OCC)C(C(O)C(C1)CO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952906 |
![Diethyl (1'rs,2'sr,3'rs,4'sr)-2-[2',3'-dihydroxy-4'-(hydroxymethyl)cyclopent-2'-enyl]propanedioate](/api/spectrum/JelrCUmotrR/structure.png?h=300&w=458 "Diethyl (1'rs,2'sr,3'rs,4'sr)-2-[2',3'-dihydroxy-4'-(hydroxymethyl)cyclopent-2'-enyl]propanedioate")
