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Phenol, 4-[bis(3-nitrophenyl)amino]-
SpectraBase Compound ID E7ngsE82lVm
InChI InChI=1S/C18H13N3O5/c22-18-9-7-13(8-10-18)19(14-3-1-5-16(11-14)20(23)24)15-4-2-6-17(12-15)21(25)26/h1-12,22H
InChIKey IYXHHKNPUCZDCR-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vmx4vEinuV
Name Phenol, 4-[bis(3-nitrophenyl)amino]-
CAS Registry Number 105358-07-4
Comments Less than 3 mono-isotopic peaks
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Formula C18H13N3O5
InChI InChI=1S/C18H13N3O5/c22-18-9-7-13(8-10-18)19(14-3-1-5-16(11-14)20(23)24)15-4-2-6-17(12-15)21(25)26/h1-12,22H
InChIKey IYXHHKNPUCZDCR-UHFFFAOYSA-N
Molecular Weight 351.318 g/mol
SMILES Oc1ccc(N(c2cc(N(=O)=O)ccc2)c2cc(N(=O)=O)ccc2)cc1
SPLASH splash10-0zfr-0059000000-d626b7623b26749c8fde
Source of Spectrum AJ-59-807-4
Synonyms 4-Hydroxy-3',3''-dinitrotriphenylamine 4-[bis(3-nitrophenyl)amino]phenol
Wiley ID 1342533