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(S)-3-Cyclohexyl-4-(N-cyclohexylimino)-6-phenyl-tetrahydropyrimidin-2-one
SpectraBase Compound ID EjzH7PWqrSj
InChI InChI=1S/C22H31N3O/c26-22-24-20(17-10-4-1-5-11-17)16-21(23-18-12-6-2-7-13-18)25(22)19-14-8-3-9-15-19/h1,4-5,10-11,18-20H,2-3,6-9,12-16H2,(H,24,26)/b23-21+/t20-/m0/s1
InChIKey NWZDMMKAFSGEMN-SSRRSSPNSA-N
Mol Weight 353.51 g/mol
Molecular Formula C22H31N3O
Exact Mass 353.246713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Yr0oG4CoUh
Name (S)-3-Cyclohexyl-4-(N-cyclohexylimino)-6-phenyl-tetrahydropyrimidin-2-one
Alternate Name(s) (4S,6E)-1-cyclohexyl-6-(cyclohexylimino)-4-phenyltetrahydro-2(1H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N3O
InChI InChI=1S/C22H31N3O/c26-22-24-20(17-10-4-1-5-11-17)16-21(23-18-12-6-2-7-13-18)25(22)19-14-8-3-9-15-19/h1,4-5,10-11,18-20H,2-3,6-9,12-16H2,(H,24,26)/b23-21+/t20-/m0/s1
InChIKey NWZDMMKAFSGEMN-SSRRSSPNSA-N
Molecular Weight 353.510 g/mol
SMILES N1[C@@](C\C(N(C1=O)C1CCCCC1)=N/C1CCCCC1)(c1ccccc1)[H]
SPLASH splash10-05fu-9570000000-e0cade2d7f5f0794e363
Source of Spectrum QC-7-2921-18
Wiley ID 869388