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4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione, ac derivative
SpectraBase Compound ID A8fEeMIy0y9
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
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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