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1,3-Dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)hexahydropyrimidine
SpectraBase Compound ID 3V0PAYWNfhI
InChI InChI=1S/C25H25N3O4/c29-28(30)22-15-24-23(31-18-32-24)14-21(22)25-26(16-19-8-3-1-4-9-19)12-7-13-27(25)17-20-10-5-2-6-11-20/h1-6,8-11,14-15,25H,7,12-13,16-18H2
InChIKey FZTVVKPNQZSUBU-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C25H25N3O4
Exact Mass 431.184506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0Hpidk3Sjm
Name pyrimidine, hexahydro-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.184506293 u
Formula C25H25N3O4
InChI InChI=1S/C25H25N3O4/c29-28(30)22-15-24-23(31-18-32-24)14-21(22)25-26(16-19-8-3-1-4-9-19)12-7-13-27(25)17-20-10-5-2-6-11-20/h1-6,8-11,14-15,25H,7,12-13,16-18H2
InChIKey FZTVVKPNQZSUBU-UHFFFAOYSA-N
Molecular Weight 431.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10995
Solvent DMSO-d6
Source Vendor ID: NMR/10251195; Lab Info: LP; Lab Number: LP-2100677