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2H-1,2,4-Triazol-3(4H)-one, 5-(4-bromophenyl)-
SpectraBase Compound ID 50sHn6W9d9f
InChI InChI=1S/C8H6BrN3O/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey CFRHDMJAUMODNV-UHFFFAOYSA-N
Mol Weight 240.06 g/mol
Molecular Formula C8H6BrN3O
Exact Mass 238.969425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50ICNUE56TI
Name 2H-1,2,4-Triazol-3(4H)-one, 5-(4-bromophenyl)-
CAS Registry Number 33199-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrN3O
InChI InChI=1S/C8H6BrN3O/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey CFRHDMJAUMODNV-UHFFFAOYSA-N
Molecular Weight 240.060 g/mol
SMILES N1C(NN=C1c1ccc(Br)cc1)=O
SPLASH splash10-000g-9450000000-e4ee3de55ff1055bb416
Source of Spectrum AD-0-2532-0
Synonyms 5-(4-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 5-(4-bromophenyl)-1,2-dihydro-1,2,4-triazol-3-one
Wiley ID 1420693