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[1,2,3,4]Tetrazolo[1,5-a]pyrimidine-5-carboxylic acid, 6-acetyl-7-(4-fluorophenyl)-4,7-dihydro-, methyl ester
SpectraBase Compound ID AzpJsUaqaRv
InChI InChI=1S/C14H12FN5O3/c1-7(21)10-11(13(22)23-2)16-14-17-18-19-20(14)12(10)8-3-5-9(15)6-4-8/h3-6,12H,1-2H3,(H,16,17,19)
InChIKey YSSMSKSSAYZDMK-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 3gKuw0EOvOb
Name [1,2,3,4]Tetrazolo[1,5-a]pyrimidine-5-carboxylic acid, 6-acetyl-7-(4-fluorophenyl)-4,7-dihydro-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12FN5O3
InChI InChI=1S/C14H12FN5O3/c1-7(21)10-11(13(22)23-2)16-14-17-18-19-20(14)12(10)8-3-5-9(15)6-4-8/h3-6,12H,1-2H3,(H,16,17,19)
InChIKey YSSMSKSSAYZDMK-UHFFFAOYSA-N
Molecular Weight 317.280 g/mol
SMILES N1c2[n](C(C(=C1C(OC)=O)C(=O)C)c1ccc(cc1)F)nnn2
SPLASH splash10-0006-9630000000-a0dc1f584d508d1413bc
Source of Spectrum IY-1-4315-4
Synonyms Methyl 6-acetyl-7-(4-fluorophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate Methyl 6-ethanoyl-7-(4-fluorophenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylate
Wiley ID 1651137