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N-[2-(2-Chloro-phenoxy)-ethyl]-3,5-dinitro-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-[2-(2-Chloro-phenoxy)-ethyl]-3,5-dinitro-benzamide
SpectraBase Compound ID LMK2tBOliSi
InChI InChI=1S/C15H12ClN3O6/c16-13-3-1-2-4-14(13)25-6-5-17-15(20)10-7-11(18(21)22)9-12(8-10)19(23)24/h1-4,7-9H,5-6H2,(H,17,20)
InChIKey GHCNVMSYRCZUKP-UHFFFAOYSA-N
Mol Weight 365.73 g/mol
Molecular Formula C15H12ClN3O6
Exact Mass 365.041463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FFAj7M3ba6
Name N-[2-(2-Chloro-phenoxy)-ethyl]-3,5-dinitro-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 365.041462812 u
Formula C15H12ClN3O6
InChI InChI=1S/C15H12ClN3O6/c16-13-3-1-2-4-14(13)25-6-5-17-15(20)10-7-11(18(21)22)9-12(8-10)19(23)24/h1-4,7-9H,5-6H2,(H,17,20)
InChIKey GHCNVMSYRCZUKP-UHFFFAOYSA-N
Molecular Weight 365.729 g/mol
SMILES C1=CC=C(C(OCCNC(C2=CC(N(=O)=O)=CC(N(=O)=O)=C2)=O)=C1)Cl