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2-(4-nitrophenyl)-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID Fy6iuF97Qfi
InChI InChI=1S/C17H10N4O3S/c22-15-10-14(11-4-2-1-3-5-11)20-17(18-15)25-16(19-20)12-6-8-13(9-7-12)21(23)24/h1-10H
InChIKey NJGBPBIIMIDLHJ-UHFFFAOYSA-N
Mol Weight 350.35 g/mol
Molecular Formula C17H10N4O3S
Exact Mass 350.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNwTDP9fhhH
Name 2-(4-nitrophenyl)-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS Registry Number 82077-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10N4O3S
InChI InChI=1S/C17H10N4O3S/c22-15-10-14(11-4-2-1-3-5-11)20-17(18-15)25-16(19-20)12-6-8-13(9-7-12)21(23)24/h1-10H
InChIKey NJGBPBIIMIDLHJ-UHFFFAOYSA-N
Molecular Weight 350.352 g/mol
SMILES c1ccc(cc1)C1=CC(N=C2N1N=C(c1ccc(cc1)N(=O)=O)S2)=O
SPLASH splash10-0udi-0509000000-4e477a808ca2e9f75ddb
Source of Spectrum O-19-434-7
Wiley ID 1341773