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2-(4-Bromophenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID 6v3cWMr00QZ
InChI InChI=1S/C11H6BrN3OS/c12-8-3-1-7(2-4-8)10-14-15-9(16)5-6-13-11(15)17-10/h1-6H
InChIKey XPQUXGMGZICKCT-UHFFFAOYSA-N
Mol Weight 308.15 g/mol
Molecular Formula C11H6BrN3OS
Exact Mass 306.941496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nleVgjZkPl
Name 2-(4-Bromophenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6BrN3OS
InChI InChI=1S/C11H6BrN3OS/c12-8-3-1-7(2-4-8)10-14-15-9(16)5-6-13-11(15)17-10/h1-6H
InChIKey XPQUXGMGZICKCT-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA02714K
Molecular Weight 308.153 g/mol
SMILES C12=NC=CC(N2N=C(S1)c1ccc(cc1)Br)=O
SPLASH splash10-0f6t-9401000000-8ce004f54976930a85e1
Source of Spectrum RSA-4-55827/SM5-3g
Synonyms 2-(4-bromophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Wiley ID 1805481