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(1-Benzyl-5-nitro-1H-benzimidazol-2-yl)methanol, tms
SpectraBase Compound ID 6lmTJsSPCvh
InChI InChI=1S/C18H21N3O3Si/c1-25(2,3)24-13-18-19-16-11-15(21(22)23)9-10-17(16)20(18)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3
InChIKey MHYIGTDGURJNPD-UHFFFAOYSA-N
Mol Weight 355.47 g/mol
Molecular Formula C18H21N3O3Si
Exact Mass 355.135218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HijKZ9OUVNC
Name (1-Benzyl-5-nitro-1H-benzimidazol-2-yl)methanol, tms
Comments Computed using HOSE algorithm
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Exact Mass 355.135218080 u
Formula C18H21N3O3Si
InChI InChI=1S/C18H21N3O3Si/c1-25(2,3)24-13-18-19-16-11-15(21(22)23)9-10-17(16)20(18)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3
InChIKey MHYIGTDGURJNPD-UHFFFAOYSA-N
Molecular Weight 355.469 g/mol
SMILES C[Si](OCC=1N(C2=CC=C(N(=O)=O)C=C2N1)CC1=CC=CC=C1)(C)C