| SpectraBase Spectrum ID |
LHLF8jim5lR |
| Name |
5-[4,6-bis(5-Keto-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]valeric acid propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.329833117 u |
| Formula |
C27H48O9 |
| InChI |
InChI=1S/C27H48O9/c1-4-19-31-22(28)13-7-10-16-25-34-26(17-11-8-14-23(29)32-20-5-2)36-27(35-25)18-12-9-15-24(30)33-21-6-3/h25-27H,4-21H2,1-3H3 |
| InChIKey |
QEISTDUZCGVFFE-UHFFFAOYSA-N |
| Molecular Weight |
516.672 g/mol |
| SMILES |
C1(OC(OC(O1)CCCCC(=O)OCCC)CCCCC(=O)OCCC)CCCCC(=O)OCCC |
![5-[4,6-bis(5-Keto-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]valeric acid propyl ester](/api/spectrum/LHLF8jim5lR/structure.png?h=300&w=458 "5-[4,6-bis(5-Keto-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]valeric acid propyl ester")
