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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 3IRn6x0epUE
Name 2-[2-(Allyloxy)phenyl]-3,6-dihydro-5-benzyl-6-oxo-1,3-diphenyl-1-pyrimidinium-4-olate
Alternate Name(s) 2-(2-(allyloxy)phenyl)-5-benzyl-6-oxo-1,3-diphenyl-3,6-dihydropyrimidin-1-ium-4-olate
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
Literature Reference DOI 10.1002/cber.19881210620
Molecular Weight 486.571 g/mol
SMILES C=1([O-])N(C(c2ccccc2OCC=C)=[N+](C(C1Cc1ccccc1)=O)c1ccccc1)c1ccccc1
SPLASH splash10-000m-9827500000-5397d9a1d8cf4b743d03
Source of Spectrum K-121-1145-5b
Wiley ID 1796847