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7-Methylthio-5-oxo-6-phenoxy-5H-1,3,4-thiadiazole[3,2-a]pyrimidine
SpectraBase Compound ID 97LdGaTEETE
InChI InChI=1S/C12H9N3O2S2/c1-18-10-9(17-8-5-3-2-4-6-8)11(16)15-12(14-10)19-7-13-15/h2-7H,1H3
InChIKey PADCEWZKIHSLAN-UHFFFAOYSA-N
Mol Weight 291.34 g/mol
Molecular Formula C12H9N3O2S2
Exact Mass 291.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZ3tjM4KwAp
Name 7-Methylthio-5-oxo-6-phenoxy-5H-1,3,4-thiadiazole[3,2-a]pyrimidine
Alternate Name(s) 7-(methylsulfanyl)-6-phenoxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S2
InChI InChI=1S/C12H9N3O2S2/c1-18-10-9(17-8-5-3-2-4-6-8)11(16)15-12(14-10)19-7-13-15/h2-7H,1H3
InChIKey PADCEWZKIHSLAN-UHFFFAOYSA-N
Molecular Weight 291.343 g/mol
SMILES C1=2N(C(C(=C(N2)SC)Oc2ccccc2)=O)N=CS1
SPLASH splash10-0006-0190000000-acd846f28fb09789c6a1
Source of Spectrum AH-127-1279-4
Wiley ID 1294338