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N2 ,N2 -Dioctyl-N5 -(4-(methyl-d3)phenyl-)pyrimidine-2,5-diamine
SpectraBase Compound ID KVR4OPN0TjP
InChI InChI=1S/C27H44N4/c1-4-6-8-10-12-14-20-31(21-15-13-11-9-7-5-2)27-28-22-26(23-29-27)30-25-18-16-24(3)17-19-25/h16-19,22-23,30H,4-15,20-21H2,1-3H3/i3D3
InChIKey OHEMBFBRGZRIDZ-HPRDVNIFSA-N
Mol Weight 427.7 g/mol
Molecular Formula C27H41D3N4
Exact Mass 427.375428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hy37h5bzwkZ
Name N2 ,N2 -Dioctyl-N5 -(4-(methyl-d3)phenyl-)pyrimidine-2,5-diamine
Appearance Brown oil
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Formula C27H41D3N4
InChI InChI=1S/C27H44N4/c1-4-6-8-10-12-14-20-31(21-15-13-11-9-7-5-2)27-28-22-26(23-29-27)30-25-18-16-24(3)17-19-25/h16-19,22-23,30H,4-15,20-21H2,1-3H3/i3D3
InChIKey OHEMBFBRGZRIDZ-HPRDVNIFSA-N
Instrument Name Kratos Concept Tandem mass spectrometer
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c00365
Molecular Weight 427.695 g/mol
Reported Formula C27H41D3N4
SMILES N(c1ccc(cc1)C([D])([D])[D])c1cnc(nc1)N(CCCCCCCC)CCCCCCCC
SPLASH splash10-014i-9340000000-f33de7363c47ea6d04dc
Source of Spectrum JOC-86-SM24-d3-p-Me-2
Wiley ID 1872339