SpectraBase Spectrum ID |
5dykf3HTgvs |
Name |
4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, ac derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
346.105252913 u |
Formula |
C18H18O7 |
InChI |
InChI=1S/C18H18O7/c1-9-5-11(20)6-15(23-4)18(9)17(21)16-13(24-10(2)19)7-12(22-3)8-14(16)25-18/h6-9H,5H2,1-4H3 |
InChIKey |
JLGIVUYEKLBAAE-UHFFFAOYSA-N |
Molecular Weight |
346.335 g/mol |
SMILES |
C12(OC=3C(C2=O)=C(C=C(C3)OC)OC(=O)C)C(=CC(CC1C)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918033 |