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2-[(2S)-1,3-bis(p-anisyl)hexahydropyrimidin-1-ium-2-yl]-4,6-dichloro-phenolate
SpectraBase Compound ID CvIy0EQoqb3
InChI InChI=1S/C26H28Cl2N2O3/c1-32-21-8-4-18(5-9-21)16-29-12-3-13-30(17-19-6-10-22(33-2)11-7-19)26(29)23-14-20(27)15-24(28)25(23)31/h4-11,14-15,26,31H,3,12-13,16-17H2,1-2H3
InChIKey AZDJFIIWSGLZMG-UHFFFAOYSA-N
Mol Weight 487.43 g/mol
Molecular Formula C26H28Cl2N2O3
Exact Mass 486.147698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SH34jqfoTn
Name 2-[(2S)-1,3-bis(p-anisyl)hexahydropyrimidin-1-ium-2-yl]-4,6-dichloro-phenolate
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Formula C26H28Cl2N2O3
InChI InChI=1S/C26H28Cl2N2O3/c1-32-21-8-4-18(5-9-21)16-29-12-3-13-30(17-19-6-10-22(33-2)11-7-19)26(29)23-14-20(27)15-24(28)25(23)31/h4-11,14-15,26,31H,3,12-13,16-17H2,1-2H3
InChIKey AZDJFIIWSGLZMG-UHFFFAOYSA-N
Molecular Weight 487.427 g/mol
SMILES Oc1c(C2N(Cc3ccc(cc3)OC)CCCN2Cc2ccc(cc2)OC)cc(cc1Cl)Cl
SPLASH splash10-00di-2901000000-df4afa8b3213a785d584
Synonyms 2-[(2S)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium-2-yl]-4,6-bis(chloranyl)phenolate 2-[(2S)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-1-ium-2-yl]-4,6-dichlorophenolate 2-[(2S)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-1-ium-2-yl]-4,6-dichloro-phenolate 2-[1,3-bis(p-anisyl)hexahydropyrimidin-2-yl]-4,6-dichloro-phenol 2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4,6-bis(chloranyl)phenol 2-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol 2-[1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4,6-dichloro-phenol
Wiley ID 1436789