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4-([1,2,4]Triazolo[1,5-c]quinazoline-2-ylthiomethyl)benzoic Acid Methyl Ester
SpectraBase Compound ID Fhp7zjzdj4M
InChI InChI=1S/C18H14N4O2S/c1-24-17(23)13-8-6-12(7-9-13)10-25-18-20-16-14-4-2-3-5-15(14)19-11-22(16)21-18/h2-9,11H,10H2,1H3
InChIKey QQNOJMDHIWQVPY-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C18H14N4O2S
Exact Mass 350.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu4E8dzmqvq
Name 4-([1,2,4]Triazolo[1,5-c]quinazoline-2-ylthiomethyl)benzoic Acid Methyl Ester
Alternate Name(s) Methyl 4-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanylmethyl)benzoate
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Formula C18H14N4O2S
InChI InChI=1S/C18H14N4O2S/c1-24-17(23)13-8-6-12(7-9-13)10-25-18-20-16-14-4-2-3-5-15(14)19-11-22(16)21-18/h2-9,11H,10H2,1H3
InChIKey QQNOJMDHIWQVPY-UHFFFAOYSA-N
Molecular Weight 350.396 g/mol
SMILES c-12[n](nc(n2)SCc2ccc(C(=O)OC)cc2)C=Nc2c1cccc2
SPLASH splash10-0v6v-3903000000-78781cca0f12863ac8b6
Source of Spectrum E1-57-582-3m
Wiley ID 1661789