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N2,N2-Dioctyl-N5-(p-tolyl)pyrimidine-2,5-diamine
SpectraBase Compound ID 6RmSqiMyUAi
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
InChIKey OHEMBFBRGZRIDZ-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H44N4
Exact Mass 424.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABHY5YqPS70
Name N2,N2-Dioctyl-N5-(p-tolyl)pyrimidine-2,5-diamine
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44N4
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
InChIKey OHEMBFBRGZRIDZ-UHFFFAOYSA-N
Instrument Name Kratos Concept Tandem mass spectrometer
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c00365
Molecular Weight 424.677 g/mol
Reported Formula C27H44N4
SMILES N(c1ccc(cc1)C)c1cnc(nc1)N(CCCCCCCC)CCCCCCCC
SPLASH splash10-014i-9340000000-42d2f5d44abd062a111e
Source of Spectrum JOC-86-SM20-p-Me-2
Wiley ID 1872341