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5-Benzoyl-(1-(3,5-bis(piperidin-1-ylmethyl))-4-hydroxyphenyl)-3-p-tolyl-1,2,3,4-tetrahydro-pyrimidine
SpectraBase Compound ID 9vg9PnUZaSi
InChI InChI=1S/C36H44N4O2/c1-28-13-15-33(16-14-28)39-25-32(35(41)29-11-5-2-6-12-29)26-40(27-39)34-21-30(23-37-17-7-3-8-18-37)36(42)31(22-34)24-38-19-9-4-10-20-38/h2,5-6,11-16,21-22,26,42H,3-4,7-10,17-20,23-25,27H2,1H3
InChIKey CIUZNNAFIQUYKX-UHFFFAOYSA-N
Mol Weight 564.8 g/mol
Molecular Formula C36H44N4O2
Exact Mass 564.346427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oIHpNqQ51V
Name 5-Benzoyl-(1-(3,5-bis(piperidin-1-ylmethyl))-4-hydroxyphenyl)-3-p-tolyl-1,2,3,4-tetrahydro-pyrimidine
Appearance Pale-brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44N4O2
InChI InChI=1S/C36H44N4O2/c1-28-13-15-33(16-14-28)39-25-32(35(41)29-11-5-2-6-12-29)26-40(27-39)34-21-30(23-37-17-7-3-8-18-37)36(42)31(22-34)24-38-19-9-4-10-20-38/h2,5-6,11-16,21-22,26,42H,3-4,7-10,17-20,23-25,27H2,1H3
InChIKey CIUZNNAFIQUYKX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 564.774 g/mol
SMILES Oc1c(cc(N2CN(CC(C(c3ccccc3)=O)=C2)c2ccc(cc2)C)cc1CN1CCCCC1)CN1CCCCC1
SPLASH splash10-067i-5600900000-be6299ee99de5cfc55cb
Source of Spectrum Y-55-2966-9b
Wiley ID 1879003