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6-Methoxy-5-[2-(methoxycarbonyl)-1-ethynyl]-4,7-benzofuranquinone
SpectraBase Compound ID 98kAsVKuIJ7
InChI InChI=1S/C13H8O6/c1-17-9(14)4-3-7-10(15)8-5-6-19-13(8)11(16)12(7)18-2/h5-6H,1-2H3
InChIKey NVBYOAGKIHOASH-UHFFFAOYSA-N
Mol Weight 260.2 g/mol
Molecular Formula C13H8O6
Exact Mass 260.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlcSbdIQTeE
Name 6-Methoxy-5-[2-(methoxycarbonyl)-1-ethynyl]-4,7-benzofuranquinone
CAS Registry Number 115591-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8O6
InChI InChI=1S/C13H8O6/c1-17-9(14)4-3-7-10(15)8-5-6-19-13(8)11(16)12(7)18-2/h5-6H,1-2H3
InChIKey NVBYOAGKIHOASH-UHFFFAOYSA-N
Molecular Weight 260.201 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cco2)OC)C#CC(=O)OC
SPLASH splash10-0uxu-7690000000-6ad726f4a5a9c971344b
Source of Spectrum J-53-4171-12
Synonyms Methyl 3-(6-methoxy-4,7-dioxo-4,7-dihydro-1-benzofuran-5-yl)-2-propynoate
Wiley ID 1263474