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2-Benzyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID 9uLzWBlaHWR
InChI InChI=1S/C12H9N3OS/c16-11-6-7-13-12-15(11)14-10(17-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey ZCNXZAWKGLIPMY-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5OTsaCghAf
Name 2-Benzyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Alternate Name(s) 2-Benzyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c16-11-6-7-13-12-15(11)14-10(17-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey ZCNXZAWKGLIPMY-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA02714K
Molecular Weight 243.284 g/mol
SMILES C12=NC=CC(N2N=C(S1)Cc1ccccc1)=O
SPLASH splash10-0007-9110000000-fede1e9df0baabbbc797
Source of Spectrum RSA-4-55827/SM7-3m
Wiley ID 1805487