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4-Cyclohexyl-2-methyl-1-(4-methylphenyl)-6-phenyl-5-(3-propynyl)-1,2-dihydropyrimidine
SpectraBase Compound ID BhwtfhlUCfo
InChI InChI=1S/C27H30N2/c1-4-11-25-26(22-12-7-5-8-13-22)28-21(3)29(24-18-16-20(2)17-19-24)27(25)23-14-9-6-10-15-23/h1,6,9-10,14-19,21-22H,5,7-8,11-13H2,2-3H3
InChIKey FPOGGRBKVRUDGT-UHFFFAOYSA-N
Mol Weight 382.55 g/mol
Molecular Formula C27H30N2
Exact Mass 382.240899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hpuhr1YDYFK
Name 4-Cyclohexyl-2-methyl-1-(4-methylphenyl)-6-phenyl-5-(3-propynyl)-1,2-dihydropyrimidine
Alternate Name(s) 4-cyclohexyl-2-methyl-1-(4-methylphenyl)-6-phenyl-5-(2-propynyl)-1,2-dihydropyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2
InChI InChI=1S/C27H30N2/c1-4-11-25-26(22-12-7-5-8-13-22)28-21(3)29(24-18-16-20(2)17-19-24)27(25)23-14-9-6-10-15-23/h1,6,9-10,14-19,21-22H,5,7-8,11-13H2,2-3H3
InChIKey FPOGGRBKVRUDGT-UHFFFAOYSA-N
Molecular Weight 382.551 g/mol
SMILES C1(=C(N(c2ccc(cc2)C)C(N=C1C1CCCCC1)C)c1ccccc1)CC#C
SPLASH splash10-014i-0009000000-e8646379ab7abec2c493
Source of Spectrum J-58-703-4
Wiley ID 1360882