3-[(4-Bromoanilino)methylidene]pentane-2,4-dione

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Systematic / IUPAC Name: 3-{[(4-Bromophenyl)amino]methylene}-2,4-pentanedione

ID: Reference5924

Other Names: 2,4-Pentanedione, 3-{[(4-bromophenyl)amino]methylene}-

Formula: C12H12BrNO2

Spectral Data

3-[(4-Bromoanilino)methylidene]pentane-2,4-dione 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/8/2016 1:03:09 PM
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Identificators

InChI InChI=1S/C12H12BrNO2/c1-8(15)12(9(2)16)7-14-11-5-3-10(13)4-6-11/h3-7,14H,1-2H3
InChI Key ZOQPFFYKJXDANL-UHFFFAOYSA-N
Canonical SMILES CC(=O)C(=CNC1=CC=C(C=C1)Br)C(=O)C
CAS
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Other Names 2,4-Pentanedione, 3-{[(4-bromophenyl)amino]methylene}-

In Other Databases

ChemSpider 2077052
PubChem 2798289