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5-Cyano-5-methoxycarbonyl-2,4,6-triphenylhexahydropyrimidine
SpectraBase Compound ID 8A6sltzPPPJ
InChI InChI=1S/C25H23N3O2/c1-30-24(29)25(17-26)21(18-11-5-2-6-12-18)27-23(20-15-9-4-10-16-20)28-22(25)19-13-7-3-8-14-19/h2-16,21-23,27-28H,1H3
InChIKey GIMBMKHEGFPONY-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C25H23N3O2
Exact Mass 397.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ozBeodcg5R
Name 5-Cyano-5-methoxycarbonyl-2,4,6-triphenylhexahydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O2
InChI InChI=1S/C25H23N3O2/c1-30-24(29)25(17-26)21(18-11-5-2-6-12-18)27-23(20-15-9-4-10-16-20)28-22(25)19-13-7-3-8-14-19/h2-16,21-23,27-28H,1H3
InChIKey GIMBMKHEGFPONY-UHFFFAOYSA-N
Molecular Weight 397.478 g/mol
SMILES N1C(C(C(NC1c1ccccc1)c1ccccc1)(C(=O)OC)C#N)c1ccccc1
SPLASH splash10-052o-0900000000-d1aba63d89e0b4296735
Source of Spectrum SO-0-835-3
Synonyms Methyl 5-cyano-2,4,6-triphenylhexahydro-5-pyrimidinecarboxylate
Wiley ID 1537510