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2-((3,5-Diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
SpectraBase Compound ID 1Ln5AVRMHO1
InChI InChI=1S/C30H20N4O2S/c31-19-25-27(20-10-4-1-5-11-20)24-17-16-23(35)18-26(24)36-28(25)32-30-34(22-14-8-3-9-15-22)33-29(37-30)21-12-6-2-7-13-21/h1-18,27,35H
InChIKey SISXZYSGVFINBA-UHFFFAOYSA-N
Mol Weight 500.58 g/mol
Molecular Formula C30H20N4O2S
Exact Mass 500.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FOMG1K9vwf
Name 2-((3,5-Diphenyl-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 C30H20N4O2S
InChI InChI=1S/C30H20N4O2S/c31-19-25-27(20-10-4-1-5-11-20)24-17-16-23(35)18-26(24)36-28(25)32-30-34(22-14-8-3-9-15-22)33-29(37-30)21-12-6-2-7-13-21/h1-18,27,35H
InChIKey SISXZYSGVFINBA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 500.576 g/mol
SMILES Oc1cc2OC(N=C3N(c4ccccc4)N=C(S3)c3ccccc3)=C(C(c2cc1)c1ccccc1)C#N
SPLASH splash10-0g0i-7944620000-c8559960a85f88804d45
Source of Spectrum Y-54-1223-8a
Wiley ID 1878111