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2-(4-nitrobenzyl)-6-[2-(4-phenylpiperazino)ethyl]-1H-benzimidazole
SpectraBase Compound ID KtDgP4D5MTp
InChI InChI=1S/C26H27N5O2/c32-31(33)23-9-6-20(7-10-23)19-26-27-24-11-8-21(18-25(24)28-26)12-13-29-14-16-30(17-15-29)22-4-2-1-3-5-22/h1-11,18H,12-17,19H2,(H,27,28)
InChIKey STNKIUMRVUWHLR-UHFFFAOYSA-N
Mol Weight 441.54 g/mol
Molecular Formula C26H27N5O2
Exact Mass 441.216475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A27zpuIabT
Name 2-(4-nitrobenzyl)-6-[2-(4-phenylpiperazino)ethyl]-1H-benzimidazole
Alternate Name(s) 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-benzimidazole 2-[(4-nitrophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
Comments Less than 3 mono-isotopic peaks
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Formula C26H27N5O2
InChI InChI=1S/C26H27N5O2/c32-31(33)23-9-6-20(7-10-23)19-26-27-24-11-8-21(18-25(24)28-26)12-13-29-14-16-30(17-15-29)22-4-2-1-3-5-22/h1-11,18H,12-17,19H2,(H,27,28)
InChIKey STNKIUMRVUWHLR-UHFFFAOYSA-N
Molecular Weight 441.535 g/mol
SMILES [nH]1c2c(nc1Cc1ccc(N(=O)=O)cc1)cc(cc2)CCN1CCN(CC1)c1ccccc1
SPLASH splash10-004i-0900100000-6163a87bcdd1e7472d40
Source of Spectrum D8-331-24-7
Wiley ID 1550657