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2-((5-Acetyl-3-(p-tolyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
SpectraBase Compound ID 4ikM7aRJOmS
InChI InChI=1S/C27H20N4O3S/c1-16-8-10-19(11-9-16)31-27(35-26(30-31)17(2)32)29-25-22(15-28)24(18-6-4-3-5-7-18)21-13-12-20(33)14-23(21)34-25/h3-14,24,33H,1-2H3
InChIKey LTQUULGYPLTFPZ-UHFFFAOYSA-N
Mol Weight 480.54 g/mol
Molecular Formula C27H20N4O3S
Exact Mass 480.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4pYmgLNrbq
Name 2-((5-Acetyl-3-(p-tolyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N4O3S
InChI InChI=1S/C27H20N4O3S/c1-16-8-10-19(11-9-16)31-27(35-26(30-31)17(2)32)29-25-22(15-28)24(18-6-4-3-5-7-18)21-13-12-20(33)14-23(21)34-25/h3-14,24,33H,1-2H3
InChIKey LTQUULGYPLTFPZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 480.542 g/mol
SMILES Oc1cc2OC(N=C3N(c4ccc(cc4)C)N=C(S3)C(=O)C)=C(C(c2cc1)c1ccccc1)C#N
SPLASH splash10-03di-9655300000-2b24cc2b5837893eb97c
Source of Spectrum Y-54-1223-8c
Wiley ID 1878113