| SpectraBase Spectrum ID |
GThF492HNMm |
| Name |
(3,4-Methylendioxyphenyl)-bis-(2-hydroxy-6-oxocyclohex-1-enyl)-methane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.125988358 u |
| Formula |
C20H20O6 |
| InChI |
InChI=1S/C20H20O6/c21-12-3-1-4-13(22)19(12)18(20-14(23)5-2-6-15(20)24)11-7-8-16-17(9-11)26-10-25-16/h7-9,18,21,23H,1-6,10H2 |
| InChIKey |
ZTRJHWATVXVSHP-UHFFFAOYSA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
C1C(C(C(C2=C(CCCC2=O)O)C2=CC3=C(C=C2)OCO3)=C(CC1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953236 |
