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4-(2-(4-(2-Cyano-3-(4-methoxyphenyl)acrylamido)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
SpectraBase Compound ID I0zNyiBeAt1
InChI InChI=1S/C34H23N3O6/c1-41-28-15-7-22(8-16-28)19-26(21-35)31(38)36-27-13-11-24(12-14-27)32-37-30(34(40)43-32)20-23-9-17-29(18-10-23)42-33(39)25-5-3-2-4-6-25/h2-20H,1H3,(H,36,38)
InChIKey INTIZAWBFCEYOO-UHFFFAOYSA-N
Mol Weight 569.6 g/mol
Molecular Formula C34H23N3O6
Exact Mass 569.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nADIYPngG4
Name 4-(2-(4-(2-Cyano-3-(4-methoxyphenyl)acrylamido)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H23N3O6
InChI InChI=1S/C34H23N3O6/c1-41-28-15-7-22(8-16-28)19-26(21-35)31(38)36-27-13-11-24(12-14-27)32-37-30(34(40)43-32)20-23-9-17-29(18-10-23)42-33(39)25-5-3-2-4-6-25/h2-20H,1H3,(H,36,38)
InChIKey INTIZAWBFCEYOO-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 569.573 g/mol
SMILES N(c1ccc(C=2OC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)N2)cc1)C(=O)C(C#N)=Cc1ccc(cc1)OC
SPLASH splash10-0frw-9404000000-b4081cf6d78b88f7c1bf
Source of Spectrum Y-55-1098-16
Wiley ID 1879138