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2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine

View entire compound with spectra: 2 NMR

2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine
SpectraBase Compound ID FcbPhrtkNvI
InChI InChI=1S/C25H26N2O2/c1-3-8-20(9-4-1)17-26-14-7-15-27(18-21-10-5-2-6-11-21)25(26)22-12-13-23-24(16-22)29-19-28-23/h1-6,8-13,16,25H,7,14-15,17-19H2
InChIKey WYMDIENOQKSIOF-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C25H26N2O2
Exact Mass 386.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ospOMT48uN
Name 2-(1,3-Benzodioxol-5-yl)-1,3-dibenzylhexahydropyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.199428083 u
Formula C25H26N2O2
InChI InChI=1S/C25H26N2O2/c1-3-8-20(9-4-1)17-26-14-7-15-27(18-21-10-5-2-6-11-21)25(26)22-12-13-23-24(16-22)29-19-28-23/h1-6,8-13,16,25H,7,14-15,17-19H2
InChIKey WYMDIENOQKSIOF-UHFFFAOYSA-N
Molecular Weight 386.495 g/mol
SMILES C=1C=CC(CN2C(N(CC=3C=CC=CC3)CCC2)C=2C=C3OCOC3=CC2)=CC1