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5-(4-Bromophenyl)-5,8-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-carboxylic acid
SpectraBase Compound ID 8uKJOvG6cya
InChI InChI=1S/C12H9BrN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6,9H,(H,18,19)(H,14,15,16)
InChIKey MIWLUWGOILEVSN-UHFFFAOYSA-N
Mol Weight 321.13 g/mol
Molecular Formula C12H9BrN4O2
Exact Mass 319.990889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3STBLHATDh
Name 5-(4-Bromophenyl)-5,8-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-carboxylic acid
Alternate Name(s) 5-(4-bromophenyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrN4O2
InChI InChI=1S/C12H9BrN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6,9H,(H,18,19)(H,14,15,16)
InChIKey MIWLUWGOILEVSN-UHFFFAOYSA-N
Molecular Weight 321.134 g/mol
SMILES N1C=NC2=NC(C=C(C(=O)O)N12)c1ccc(cc1)Br
SPLASH splash10-00os-0971000000-7cd452d9144eedfa1985
Source of Spectrum F4-0-2600-18
Wiley ID 1618683