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2-Phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID FbaWEUlL30J
InChI InChI=1S/C11H7N3OS/c15-9-6-7-12-11-14(9)13-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKey HKAQYKRJIAJUSC-UHFFFAOYSA-N
Mol Weight 229.26 g/mol
Molecular Formula C11H7N3OS
Exact Mass 229.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vXI7eFx5Dh
Name 2-Phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3OS
InChI InChI=1S/C11H7N3OS/c15-9-6-7-12-11-14(9)13-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKey HKAQYKRJIAJUSC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA02714K
Molecular Weight 229.257 g/mol
SMILES C12=NC=CC(N2N=C(S1)c1ccccc1)=O
SPLASH splash10-0fba-9220000000-a7be491a5e4d6b4c4698
Source of Spectrum RSA-4-55827/SM4-3e
Synonyms 2-Phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Wiley ID 1805479