| SpectraBase Spectrum ID |
8GRGJmmjIXM |
| Name |
2-Cyclohexen-1-one, 3-hydroxy-2-[(5-oxo-1-cyclopenten-1-yl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h3,14H,1-2,4-7H2 |
| InChIKey |
SZQAVFDYDMLQFT-UHFFFAOYSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C(C=1C(=O)CCCC1O)C=1C(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921383 |
![2-Cyclohexen-1-one, 3-hydroxy-2-[(5-oxo-1-cyclopenten-1-yl)methyl]-](/api/spectrum/8GRGJmmjIXM/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 3-hydroxy-2-[(5-oxo-1-cyclopenten-1-yl)methyl]-")
