| SpectraBase Spectrum ID |
7Sp7FXPt0QU |
| Name |
2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(6-hydroxyhexyl)ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.209717982 u |
| Formula |
C20H32O8 |
| InChI |
InChI=1S/C20H32O8/c21-9-5-1-3-7-11-27-19(25)15-13-18(24)16(14-17(15)23)20(26)28-12-8-4-2-6-10-22/h21-24H,1-14H2 |
| InChIKey |
SQPMABHQWATEBZ-UHFFFAOYSA-N |
| Molecular Weight |
400.468 g/mol |
| SMILES |
OC1=C(CC(=C(C(OCCCCCCO)=O)C1)O)C(OCCCCCCO)=O |
| Spectrum/Structure Validation Score (Raman) |
0.933559 |
