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N-[(9-Anthryl)methyl]-N'-[2'-(9"-anthryl)methylamino]ethyl}-ethane-1,2-diamine - trihydrochloride
SpectraBase Compound ID 427BFigTNX1
InChI InChI=1S/C34H33N3.3ClH/c1-37(34-31-16-8-4-12-27(31)23-28-13-5-9-17-32(28)34)21-20-35-18-19-36-24-33-29-14-6-2-10-25(29)22-26-11-3-7-15-30(26)33;;;/h2-17,22-23,35-36H,18-21,24H2,1H3;3*1H
InChIKey KGLGEILEMZKLGR-UHFFFAOYSA-N
Mol Weight 593.04 g/mol
Molecular Formula C34H36Cl3N3
Exact Mass 591.197481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61GX4fQRuz5
Name N-[(9-Anthryl)methyl]-N'-[2'-(9"-anthryl)methylamino]ethyl}-ethane-1,2-diamine - trihydrochloride
Comments Less than 3 mono-isotopic peaks
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Formula C34H36Cl3N3
InChI InChI=1S/C34H33N3.3ClH/c1-37(34-31-16-8-4-12-27(31)23-28-13-5-9-17-32(28)34)21-20-35-18-19-36-24-33-29-14-6-2-10-25(29)22-26-11-3-7-15-30(26)33;;;/h2-17,22-23,35-36H,18-21,24H2,1H3;3*1H
InChIKey KGLGEILEMZKLGR-UHFFFAOYSA-N
Molecular Weight 593.042 g/mol
SMILES Cl.N(CCN(c1c2c(cccc2)cc2c1cccc2)C)CCNCc1c2c(cccc2)cc2c1cccc2.Cl.Cl
SPLASH splash10-0006-0900000000-248f1560d40a923dd176
Source of Spectrum D8-328-133-5
Wiley ID 1515678