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6-Acetyl-7-(2-fluorophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID 4Hx1zjPdxbh
InChI InChI=1S/C14H12FN5O3/c1-7(21)10-11(13(22)23-2)16-14-17-18-19-20(14)12(10)8-5-3-4-6-9(8)15/h3-6,12H,1-2H3,(H,16,17,19)
InChIKey KYMJCFIHMOBBJD-UHFFFAOYSA-N
Mol Weight 317.28 g/mol
Molecular Formula C14H12FN5O3
Exact Mass 317.092417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASRYhIbN7kS
Name 6-Acetyl-7-(2-fluorophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) Methyl 6-acetyl-7-(2-fluorophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate Methyl 6-ethanoyl-7-(2-fluorophenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate
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Formula C14H12FN5O3
InChI InChI=1S/C14H12FN5O3/c1-7(21)10-11(13(22)23-2)16-14-17-18-19-20(14)12(10)8-5-3-4-6-9(8)15/h3-6,12H,1-2H3,(H,16,17,19)
InChIKey KYMJCFIHMOBBJD-UHFFFAOYSA-N
Molecular Weight 317.280 g/mol
SMILES N1c2[n](C(C(=C1C(=O)OC)C(=O)C)c1c(F)cccc1)nnn2
SPLASH splash10-0006-9730000000-88981b9296bc6f41ac70
Wiley ID 1511190