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2-Amino-4-(4-(4-(1,3-dioxoisoindolin-2-yl)butoxy)phenyl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID 98bmMWV8YqF
InChI InChI=1S/C31H23N3O6/c32-17-23-25(26-27(40-28(23)33)22-9-3-4-10-24(22)39-31(26)37)18-11-13-19(14-12-18)38-16-6-5-15-34-29(35)20-7-1-2-8-21(20)30(34)36/h1-4,7-14,25H,5-6,15-16,33H2
InChIKey CYPHXTRDAWQKCK-UHFFFAOYSA-N
Mol Weight 533.54 g/mol
Molecular Formula C31H23N3O6
Exact Mass 533.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErDGLrNr6YC
Name 2-Amino-4-(4-(4-(1,3-dioxoisoindolin-2-yl)butoxy)phenyl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N3O6
InChI InChI=1S/C31H23N3O6/c32-17-23-25(26-27(40-28(23)33)22-9-3-4-10-24(22)39-31(26)37)18-11-13-19(14-12-18)38-16-6-5-15-34-29(35)20-7-1-2-8-21(20)30(34)36/h1-4,7-14,25H,5-6,15-16,33H2
InChIKey CYPHXTRDAWQKCK-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 533.540 g/mol
SMILES NC1=C(C(C=2C(Oc3c(C2O1)cccc3)=O)c1ccc(cc1)OCCCCN1C(c2c(C1=O)cccc2)=O)C#N
SPLASH splash10-0ik9-1950000000-d656d14ff108f0d0a82b
Source of Spectrum Y-55-1682-7a
Wiley ID 1879190