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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EiZ3RDuVLVc
Name phenol, 2,4-dichloro-6-[hexahydro-1,3-bis[(4-methoxyphenyl)methyl]-2-pyrimidinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.147698167 u
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
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6912
Solvent DMSO-d6
Source Vendor ID: NMR/9321277; Lab Info: LP; Lab Number: LP-2191674