N-{2-[1-(4-Bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]vinyl}-5-(tert-butyl)-3-isoxazolamine

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Systematic / IUPAC Name: N-{(E)-2-[1-(4-Bromophenyl)-1H-tetrazol-5-yl]vinyl}-5-(2-methyl-2-propanyl)-1,2-oxazol-3-amine

ID: Reference7009

Other Names: 3-Isoxazolamine, N-{(E)-2-[1-(4-bromophenyl)-1H-tetrazol-5-yl]ethenyl}-5-(1,1-dimethylethyl)-

Formula: C16H17BrN6O

Spectral Data

N-{2-[1-(4-Bromophenyl)-1H-1,2,3,4-tetraazol-5-yl]vinyl}-5-(tert-butyl)-3-isoxazolamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 8:37:35 AM
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Identificators

InChI InChI=1S/C16H17BrN6O/c1-16(2,3)13-10-14(20-24-13)18-9-8-15-19-21-22-23(15)12-6-4-11(17)5-7-12/h4-10H,1-3H3,(H,18,20)/b9-8+
InChI Key RDXAJBFDEKBWFD-CMDGGOBGSA-N
Canonical SMILES CC(C)(C)C1=CC(=NO1)NC=CC2=NN=NN2C3=CC=C(C=C3)Br
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Other Names 3-Isoxazolamine, N-{(E)-2-[1-(4-bromophenyl)-1H-tetrazol-5-yl]ethenyl}-5-(1,1-dimethylethyl)-

In Other Databases

ChemSpider 4652175
PubChem 5714803