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N-[2-(1-azepanyl)-5-nitrophenyl]-2-chloroacetamide
SpectraBase Compound ID 8rIKjfjBvoS
InChI InChI=1S/C14H18ClN3O3/c15-10-14(19)16-12-9-11(18(20)21)5-6-13(12)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19)
InChIKey ADTPEACMVYGCOC-UHFFFAOYSA-N
Mol Weight 311.77 g/mol
Molecular Formula C14H18ClN3O3
Exact Mass 311.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Az3mFUae1HN
Name N-[2-(1-Azepanyl)-5-nitrophenyl]-2-chloroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 311.103669149 u
Formula C14H18ClN3O3
InChI InChI=1S/C14H18ClN3O3/c15-10-14(19)16-12-9-11(18(20)21)5-6-13(12)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19)
InChIKey ADTPEACMVYGCOC-UHFFFAOYSA-N
Molecular Weight 311.769 g/mol
SMILES C(CCl)(=O)NC=1C(=CC=C(C1)N(=O)=O)N1CCCCCC1