1-(2,4-Dinitrophenyl)azepane

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Systematic / IUPAC Name: 1-(2,4-Dinitrophenyl)azepane

ID: Reference7129

Other Names: (2,4-Dinitrophenyl)azaperhydroepine;
1H-Azepine, 1-(2,4-dinitrophenyl)hexahydro-

Formula: C12H15N3O4

Spectral Data

1-(2,4-Dinitrophenyl)azepane 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 66
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/5/2017 7:30:04 AM
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Identificators

InChI InChI=1S/C12H15N3O4/c16-14(17)10-5-6-11(12(9-10)15(18)19)13-7-3-1-2-4-8-13/h5-6,9H,1-4,7-8H2
InChI Key INKRSLKJVZILKS-UHFFFAOYSA-N
Canonical SMILES
CAS
Splash
Other Names (2,4-Dinitrophenyl)azaperhydroepine;
1H-Azepine, 1-(2,4-dinitrophenyl)hexahydro-

In Other Databases

ChEMBL CHEMBL1511777
ChemSpider 2013499
PubChem 2731658