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4-((2-(4-(1,3-Dioxoisoindolin-2-yl)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
SpectraBase Compound ID 5Fx2qqhtriO
InChI InChI=1S/C31H18N2O6/c34-28-24-8-4-5-9-25(24)29(35)33(28)22-14-12-20(13-15-22)27-32-26(31(37)39-27)18-19-10-16-23(17-11-19)38-30(36)21-6-2-1-3-7-21/h1-18H
InChIKey JDIUMYPBLMOMRC-UHFFFAOYSA-N
Mol Weight 514.49 g/mol
Molecular Formula C31H18N2O6
Exact Mass 514.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9qu3Qx0QFc
Name 4-((2-(4-(1,3-Dioxoisoindolin-2-yl)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H18N2O6
InChI InChI=1S/C31H18N2O6/c34-28-24-8-4-5-9-25(24)29(35)33(28)22-14-12-20(13-15-22)27-32-26(31(37)39-27)18-19-10-16-23(17-11-19)38-30(36)21-6-2-1-3-7-21/h1-18H
InChIKey JDIUMYPBLMOMRC-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 514.493 g/mol
SMILES c1ccc2C(=O)N(c3ccc(C=4OC(=O)C(=Cc5ccc(OC(=O)c6ccccc6)cc5)N4)cc3)C(=O)c2c1
SPLASH splash10-014i-0092100000-48ad453673fbee33436e
Source of Spectrum Y-55-1098-14
Wiley ID 1879136