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VIRGATYNE
SpectraBase Compound ID Jq9rvAOwZMa
InChI InChI=1S/C19H16O6/c20-10-19(21,9-14-2-4-16-18(8-14)25-12-23-16)6-5-13-1-3-15-17(7-13)24-11-22-15/h1-4,7-8,20-21H,9-12H2
InChIKey LGCFSSZSOXPIJR-UHFFFAOYSA-N
Mol Weight 340.33 g/mol
Molecular Formula C19H16O6
Exact Mass 340.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqWf3uUGybu
Name 4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-3-butyne-1,2-diol
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Formula C19H16O6
InChI InChI=1S/C19H16O6/c20-10-19(21,9-14-2-4-16-18(8-14)25-12-23-16)6-5-13-1-3-15-17(7-13)24-11-22-15/h1-4,7-8,20-21H,9-12H2
InChIKey LGCFSSZSOXPIJR-UHFFFAOYSA-N
Molecular Weight 340.331 g/mol
SMILES OC(CO)(C#Cc1cc2OCOc2cc1)Cc1cc2OCOc2cc1
SPLASH splash10-0a4r-1952000000-8816f01856efe57af529
Source of Spectrum G4-61-1196-1
Synonyms 4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)but-3-yne-1,2-diol 4-(1,3-benzodioxol-5-yl)-2-piperonyl-but-3-yne-1,2-diol
Wiley ID 1607430