| SpectraBase Spectrum ID |
9oefrdEZSSF |
| Name |
[2,3'-bi-2H-Pyran]-6(3H)-one, 5',6'-dihydro-4-hydroxy-5-(1-oxopropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-2-9(14)12-10(15)6-11(18-13(12)16)8-4-3-5-17-7-8/h4,11,15H,2-3,5-7H2,1H3 |
| InChIKey |
RCWOBUDJNOATDH-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
OC=1CC(C2=CCCOC2)OC(C1C(CC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.81799 |
![[2,3'-Bi-2H-pyran]-6(3H)-one, 5',6'-dihydro-4-hydroxy-5-(1-oxopropyl)-](/api/spectrum/9oefrdEZSSF/structure.png?h=300&w=458 "[2,3'-Bi-2H-pyran]-6(3H)-one, 5',6'-dihydro-4-hydroxy-5-(1-oxopropyl)-")
