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[1,3]Dioxolo[4,5-G]isoquinolin-5-yl-(4-hydroxy-1,3-benzodioxol-5-yl)methanone

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[1,3]Dioxolo[4,5-G]isoquinolin-5-yl-(4-hydroxy-1,3-benzodioxol-5-yl)methanone
SpectraBase Compound ID 3U4K9G7sK8F
InChI InChI=1S/C18H11NO6/c20-16(10-1-2-12-18(17(10)21)25-8-22-12)15-11-6-14-13(23-7-24-14)5-9(11)3-4-19-15/h1-6,21H,7-8H2
InChIKey RJZGNCBQQXPVEG-UHFFFAOYSA-N
Mol Weight 337.29 g/mol
Molecular Formula C18H11NO6
Exact Mass 337.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YSYIulsQsG
Name [1,3]Dioxolo[4,5-G]isoquinolin-5-yl-(4-hydroxy-1,3-benzodioxol-5-yl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.058637072 u
Formula C18H11NO6
InChI InChI=1S/C18H11NO6/c20-16(10-1-2-12-18(17(10)21)25-8-22-12)15-11-6-14-13(23-7-24-14)5-9(11)3-4-19-15/h1-6,21H,7-8H2
InChIKey RJZGNCBQQXPVEG-UHFFFAOYSA-N
Molecular Weight 337.287 g/mol
SMILES C=1(C(C=2C=3C=C4OCOC4=CC3C=CN2)=O)C(=C2OCOC2=CC1)O