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2-((3-Amino-4-methyl-5-(p-tolyldiazenyl)thiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
SpectraBase Compound ID C80An9gfVTw
InChI InChI=1S/C27H22N6O2S/c1-16-8-10-19(11-9-16)31-32-26-17(2)33(29)27(36-26)30-25-22(15-28)24(18-6-4-3-5-7-18)21-13-12-20(34)14-23(21)35-25/h3-14,24,34H,29H2,1-2H3
InChIKey MBVLGUREJRLJRL-UHFFFAOYSA-N
Mol Weight 494.57 g/mol
Molecular Formula C27H22N6O2S
Exact Mass 494.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dKSSFlqd2Z
Name 2-((3-Amino-4-methyl-5-(p-tolyldiazenyl)thiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N6O2S
InChI InChI=1S/C27H22N6O2S/c1-16-8-10-19(11-9-16)31-32-26-17(2)33(29)27(36-26)30-25-22(15-28)24(18-6-4-3-5-7-18)21-13-12-20(34)14-23(21)35-25/h3-14,24,34H,29H2,1-2H3
InChIKey MBVLGUREJRLJRL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 494.573 g/mol
SMILES NN1C(=NC=2Oc3cc(ccc3C(C2C#N)c2ccccc2)O)SC(=C1C)N=Nc1ccc(cc1)C
SPLASH splash10-05r0-5691000000-dc07490d2fd0f16153f1
Source of Spectrum Y-54-1224-11b
Wiley ID 1878093