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N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine, 2tms derivative

View entire compound with spectra: 1 NMR

N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine, 2tms derivative
SpectraBase Compound ID 6p4mi8FLBKd
InChI InChI=1S/C16H28F3N3O2Si2/c1-25(2,3)21(26(4,5)6)11-7-10-20-14-9-8-13(16(17,18)19)12-15(14)22(23)24/h8-9,12,20H,7,10-11H2,1-6H3
InChIKey HTFBBMRNSJQHBO-UHFFFAOYSA-N
Mol Weight 407.58 g/mol
Molecular Formula C16H28F3N3O2Si2
Exact Mass 407.167215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOHTklN0mvs
Name N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 407.167214711 u
Formula C16H28F3N3O2Si2
InChI InChI=1S/C16H28F3N3O2Si2/c1-25(2,3)21(26(4,5)6)11-7-10-20-14-9-8-13(16(17,18)19)12-15(14)22(23)24/h8-9,12,20H,7,10-11H2,1-6H3
InChIKey HTFBBMRNSJQHBO-UHFFFAOYSA-N
Molecular Weight 407.584 g/mol
SMILES C(F)(F)(F)C1=CC(=C(C=C1)NCCCN([Si](C)(C)C)[Si](C)(C)C)N(=O)=O