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1-(4'-Nitrobenzyl)-1H-phenanthro[9,10-d]triazole

View entire compound with spectra: 1 MS (GC)

1-(4'-Nitrobenzyl)-1H-phenanthro[9,10-d]triazole
SpectraBase Compound ID HviFKAByRBs
InChI InChI=1S/C21H14N4O2/c26-25(27)15-11-9-14(10-12-15)13-24-21-19-8-4-2-6-17(19)16-5-1-3-7-18(16)20(21)22-23-24/h1-12H,13H2
InChIKey WURMAGQHBOSQTN-UHFFFAOYSA-N
Mol Weight 354.37 g/mol
Molecular Formula C21H14N4O2
Exact Mass 354.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kp7L09Qyuv
Name 1-(4'-Nitrobenzyl)-1H-phenanthro[9,10-d]triazole
Alternate Name(s) 1-(4-nitrobenzyl)-1H-phenanthro[9,10-d][1,2,3]triazole 3-[(4-nitrophenyl)methyl]phenanthro[9,10-d]triazole 3-[(4-nitrophenyl)methyl]phenanthro[9,10-d][1,2,3]triazole
Comments Less than 3 mono-isotopic peaks
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Formula C21H14N4O2
InChI InChI=1S/C21H14N4O2/c26-25(27)15-11-9-14(10-12-15)13-24-21-19-8-4-2-6-17(19)16-5-1-3-7-18(16)20(21)22-23-24/h1-12H,13H2
InChIKey WURMAGQHBOSQTN-UHFFFAOYSA-N
Molecular Weight 354.369 g/mol
SMILES c12[n](nnc2c2ccccc2c2c1cccc2)Cc1ccc(N(=O)=O)cc1
SPLASH splash10-0006-0903000000-b14ac81590fac39b819d
Source of Spectrum Y-35-369-1
Wiley ID 1344657