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2-((3-Amino-5-((4-methoxyphenyl)diazenyl)-4-methylthiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
SpectraBase Compound ID 8SqNvmQzC9A
InChI InChI=1S/C27H22N6O3S/c1-16-26(32-31-18-8-11-20(35-2)12-9-18)37-27(33(16)29)30-25-22(15-28)24(17-6-4-3-5-7-17)21-13-10-19(34)14-23(21)36-25/h3-14,24,34H,29H2,1-2H3
InChIKey ACZKCKFTMNLYNJ-UHFFFAOYSA-N
Mol Weight 510.57 g/mol
Molecular Formula C27H22N6O3S
Exact Mass 510.14741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XwJdKjDZGZ
Name 2-((3-Amino-5-((4-methoxyphenyl)diazenyl)-4-methylthiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
Appearance Dark red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N6O3S
InChI InChI=1S/C27H22N6O3S/c1-16-26(32-31-18-8-11-20(35-2)12-9-18)37-27(33(16)29)30-25-22(15-28)24(17-6-4-3-5-7-17)21-13-10-19(34)14-23(21)36-25/h3-14,24,34H,29H2,1-2H3
InChIKey ACZKCKFTMNLYNJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 510.572 g/mol
SMILES NN1C(=NC=2Oc3cc(ccc3C(C2C#N)c2ccccc2)O)SC(=C1C)N=Nc1ccc(cc1)OC
SPLASH splash10-004i-5091010000-fe7be447dbe1b646c2da
Source of Spectrum Y-54-1224-11c
Wiley ID 1878094