3-[2,6-Dinitro-4-(trifluoromethyl)anilino]-2-azepanone

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Systematic / IUPAC Name: 3-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]amino}-2-azepanone

ID: Reference6420

Other Names: 2H-Azepin-2-one, 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}hexahydro-

Formula: C13H13F3N4O5

Spectral Data

3-[2,6-Dinitro-4-(trifluoromethyl)anilino]-2-azepanone 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 94
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2017 9:09:23 AM
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Identificators

InChI InChI=1S/C13H13F3N4O5/c14-13(15,16)7-5-9(19(22)23)11(10(6-7)20(24)25)18-8-3-1-2-4-17-12(8)21/h5-6,8,18H,1-4H2,(H,17,21)
InChI Key HHYZNTQFJBNUSS-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names 2H-Azepin-2-one, 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}hexahydro-

In Other Databases

PubChem 2805574
ChemSpider 2084102