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5-Benzoyl-1-(3-dimethylaminomethyl-4-hydroxyphenyl)-3-p-tolyl-1,2,3,4-tetrahydropyrimidine
SpectraBase Compound ID 3KCv8L6fcEh
InChI InChI=1S/C27H29N3O2/c1-20-9-11-24(12-10-20)29-17-23(27(32)21-7-5-4-6-8-21)18-30(19-29)25-13-14-26(31)22(15-25)16-28(2)3/h4-15,18,31H,16-17,19H2,1-3H3
InChIKey WXWODRNXOYDJDO-UHFFFAOYSA-N
Mol Weight 427.55 g/mol
Molecular Formula C27H29N3O2
Exact Mass 427.225977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnWebZC70An
Name 5-Benzoyl-1-(3-dimethylaminomethyl-4-hydroxyphenyl)-3-p-tolyl-1,2,3,4-tetrahydropyrimidine
Appearance Pale brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O2
InChI InChI=1S/C27H29N3O2/c1-20-9-11-24(12-10-20)29-17-23(27(32)21-7-5-4-6-8-21)18-30(19-29)25-13-14-26(31)22(15-25)16-28(2)3/h4-15,18,31H,16-17,19H2,1-3H3
InChIKey WXWODRNXOYDJDO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 427.548 g/mol
SMILES Oc1c(cc(N2CN(CC(C(c3ccccc3)=O)=C2)c2ccc(cc2)C)cc1)CN(C)C
SPLASH splash10-014i-1109100000-edbe79d51702486e35e0
Source of Spectrum Y-55-2965-8a
Wiley ID 1879001