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2-((5-Acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino)-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
SpectraBase Compound ID GA7XktbUJ5R
InChI InChI=1S/C26H18N4O3S/c1-16(31)25-29-30(18-10-6-3-7-11-18)26(34-25)28-24-21(15-27)23(17-8-4-2-5-9-17)20-13-12-19(32)14-22(20)33-24/h2-14,23,32H,1H3
InChIKey UVQZEJQPJPWWAE-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C26H18N4O3S
Exact Mass 466.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 558l80jUPY
Name 2-((5-Acetyl-3-phenyl-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 C26H18N4O3S
InChI InChI=1S/C26H18N4O3S/c1-16(31)25-29-30(18-10-6-3-7-11-18)26(34-25)28-24-21(15-27)23(17-8-4-2-5-9-17)20-13-12-19(32)14-22(20)33-24/h2-14,23,32H,1H3
InChIKey UVQZEJQPJPWWAE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 466.515 g/mol
SMILES Oc1cc2OC(N=C3N(c4ccccc4)N=C(S3)C(=O)C)=C(C(c2cc1)c1ccccc1)C#N
SPLASH splash10-002r-8911100000-02735927870b1650d77c
Source of Spectrum Y-54-1223-8b
Wiley ID 1878112