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4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
SpectraBase Compound ID 8RIr2F8JGVs
InChI InChI=1S/C16H16O6/c1-8-4-9(17)5-13(21-3)16(8)15(19)14-11(18)6-10(20-2)7-12(14)22-16/h5-8,18H,4H2,1-3H3
InChIKey RFVMVHYMAGKNDK-UHFFFAOYSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EzlyVSr1Nlv
Name 4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.094688229 u
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-8-4-9(17)5-13(21-3)16(8)15(19)14-11(18)6-10(20-2)7-12(14)22-16/h5-8,18H,4H2,1-3H3
InChIKey RFVMVHYMAGKNDK-UHFFFAOYSA-N
Molecular Weight 304.298 g/mol
SMILES C12(OC=3C(C2=O)=C(C=C(C3)OC)O)C(=CC(CC1C)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933216