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1-propanone, 1-(4-bromophenyl)-3-[5-(4-nitrophenyl)-2H-tetrazol-2-yl]-
SpectraBase Compound ID 907h1OIli1k
InChI InChI=1S/C16H12BrN5O3/c17-13-5-1-11(2-6-13)15(23)9-10-21-19-16(18-20-21)12-3-7-14(8-4-12)22(24)25/h1-8H,9-10H2
InChIKey IDLFTSQPRHHWEQ-UHFFFAOYSA-N
Mol Weight 402.21 g/mol
Molecular Formula C16H12BrN5O3
Exact Mass 401.012352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Oeu8iXsmMF
Name 1-(4-bromophenyl)-3-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]propan-1-one
Alternate Name(s) 1-(4-bromophenyl)-3-[5-(4-nitrophenyl)-2-tetrazolyl]-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrN5O3
InChI InChI=1S/C16H12BrN5O3/c17-13-5-1-11(2-6-13)15(23)9-10-21-19-16(18-20-21)12-3-7-14(8-4-12)22(24)25/h1-8H,9-10H2
InChIKey IDLFTSQPRHHWEQ-UHFFFAOYSA-N
Molecular Weight 402.208 g/mol
SMILES c1c(Br)ccc(C(CC[n]2nnc(n2)-c2ccc(N(=O)=O)cc2)=O)c1
SPLASH splash10-0zj1-3900000000-2333936b6fdfd286796f
Wiley ID 1451643