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2-[2-(Allyloxy)phenyl]-3,6-dihydro-5-benzyl-6-oxo-1,3-diphenyl-1-pyrimidinium-4-olate
SpectraBase Compound ID uu3Gf8JImA
InChI InChI=1S/C32H26N2O3/c1-2-22-37-29-21-13-12-20-27(29)30-33(25-16-8-4-9-17-25)31(35)28(23-24-14-6-3-7-15-24)32(36)34(30)26-18-10-5-11-19-26/h2-21H,1,22-23H2
InChIKey MDRCZKDMPBKJDG-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C32H26N2O3
Exact Mass 486.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdFapxymdqc
Name 2-[2-(allyloxy)phenyl]-5-benzyl-3,6-dihydro-6-oxo-1,3-diphenyl-1-pyrimidinium-4-olate
CAS Registry Number 112794-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26N2O3
InChI InChI=1S/C32H26N2O3/c1-2-22-37-29-21-13-12-20-27(29)30-33(25-16-8-4-9-17-25)31(35)28(23-24-14-6-3-7-15-24)32(36)34(30)26-18-10-5-11-19-26/h2-21H,1,22-23H2
InChIKey MDRCZKDMPBKJDG-UHFFFAOYSA-N
Molecular Weight 486.571 g/mol
SMILES C1(=[N+](C(C(=C(N1c1ccccc1)[O-])Cc1ccccc1)=O)c1ccccc1)c1c(OCC=C)cccc1
SPLASH splash10-000m-7926400000-f0bcf81ee27befe0b810
Source of Spectrum K-121-1145-5
Synonyms 2-[2-(allyloxy)phenyl]-5-benzyl-6-oxo-1,3-diphenyl-3,6-dihydropyrimidin-1-ium-4-olate
Wiley ID 1396593