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3C-E N,N-bis(3-bromobenzyl)

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3C-E N,N-bis(3-bromobenzyl)
SpectraBase Compound ID KkD96qOaZk5
InChI InChI=1S/C27H31Br2NO3/c1-5-33-27-25(31-3)15-22(16-26(27)32-4)12-19(2)30(17-20-8-6-10-23(28)13-20)18-21-9-7-11-24(29)14-21/h6-11,13-16,19H,5,12,17-18H2,1-4H3
InChIKey PIMWDDCDMGODGF-UHFFFAOYSA-N
Mol Weight 577.36 g/mol
Molecular Formula C27H31Br2NO3
Exact Mass 575.06707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55Ac5TaixgH
Name 3C-E N,N-bis(3-Bromobenzyl)
Comments Computed using HOSE algorithm
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Exact Mass 575.067069859 u
Formula C27H31Br2NO3
InChI InChI=1S/C27H31Br2NO3/c1-5-33-27-25(31-3)15-22(16-26(27)32-4)12-19(2)30(17-20-8-6-10-23(28)13-20)18-21-9-7-11-24(29)14-21/h6-11,13-16,19H,5,12,17-18H2,1-4H3
InChIKey PIMWDDCDMGODGF-UHFFFAOYSA-N
Molecular Weight 577.357 g/mol
SMILES C=1(C(=CC(=CC1OC)CC(N(CC=1C=C(C=CC1)Br)CC=1C=C(C=CC1)Br)C)OC)OCC