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N-(4-Chlorophenyl)-2-((6-oxo-6H-chromeno[3',4':4,5]thieno[3,2-d]pyrimidin-10-yl)thio)acetamide
SpectraBase Compound ID IJwbvUwAZmN
InChI InChI=1S/C21H12ClN3O3S2/c22-11-5-7-12(8-6-11)25-15(26)9-29-20-19-17(23-10-24-20)16-18(30-19)13-3-1-2-4-14(13)28-21(16)27/h1-8,10H,9H2,(H,25,26)
InChIKey QZUPUYRHVCKBJE-UHFFFAOYSA-N
Mol Weight 453.92 g/mol
Molecular Formula C21H12ClN3O3S2
Exact Mass 453.000861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4k93r5z8l4a
Name N-(4-Chlorophenyl)-2-((6-oxo-6H-chromeno[3',4':4,5]thieno[3,2-d]pyrimidin-10-yl)thio)acetamide
Appearance Turmeric yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12ClN3O3S2
InChI InChI=1S/C21H12ClN3O3S2/c22-11-5-7-12(8-6-11)25-15(26)9-29-20-19-17(23-10-24-20)16-18(30-19)13-3-1-2-4-14(13)28-21(16)27/h1-8,10H,9H2,(H,25,26)
InChIKey QZUPUYRHVCKBJE-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100801
Molecular Weight 453.918 g/mol
SMILES N(C(CSc1c2sc3-c4ccccc4OC(c3c2ncn1)=O)=O)c1ccc(cc1)Cl
SPLASH splash10-0udi-0370900000-317ede810dd86ef76116
Source of Spectrum AJO-11-SM20-9b
Wiley ID 1870754