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2,4-di(4-methylphenyl)-5-methyl-6-(1,1-dideutero)pentylpyrimidine
SpectraBase Compound ID 79n44Eb7N9M
InChI InChI=1S/C24H28N2/c1-5-6-7-8-22-19(4)23(20-13-9-17(2)10-14-20)26-24(25-22)21-15-11-18(3)12-16-21/h9-16H,5-8H2,1-4H3/i8D2
InChIKey NOYXNWMSGIRELL-MGVXTIMCSA-N
Mol Weight 346.51 g/mol
Molecular Formula C24H26D2N2
Exact Mass 346.237802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IuW6RWI0Ld
Name 2,4-di(4-methylphenyl)-5-methyl-6-(1,1-dideutero)pentylpyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26D2N2
InChI InChI=1S/C24H28N2/c1-5-6-7-8-22-19(4)23(20-13-9-17(2)10-14-20)26-24(25-22)21-15-11-18(3)12-16-21/h9-16H,5-8H2,1-4H3/i8D2
InChIKey NOYXNWMSGIRELL-MGVXTIMCSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19991230)13_24_2480
Molecular Weight 346.514 g/mol
SMILES c1(nc(c(c(n1)-c1ccc(cc1)C)C)C(CCCC)([D])[D])-c1ccc(cc1)C
SPLASH splash10-000l-0192000000-c6d13d27c0ffdd7c02f9
Source of Spectrum RCM-13-2483-17
Wiley ID 1839014