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1,3-bis(p-Chlorophenethyl)hexahydro-5-pyrimidinecarbonitrile

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1,3-bis(p-Chlorophenethyl)hexahydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID JilLQPdkvkS
InChI InChI=1S/C21H23Cl2N3/c22-20-5-1-17(2-6-20)9-11-25-14-19(13-24)15-26(16-25)12-10-18-3-7-21(23)8-4-18/h1-8,19H,9-12,14-16H2
InChIKey CIIWTFUMICRVQE-UHFFFAOYSA-N
Mol Weight 388.34 g/mol
Molecular Formula C21H23Cl2N3
Exact Mass 387.126903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LoBHpO25XM
Name 1,3-BIS(p-CHLOROPHENETHYL)HEXAHYDRO-5-PYRIMIDINECARBONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23Cl2N3
InChI InChI=1S/C21H23Cl2N3/c22-20-5-1-17(2-6-20)9-11-25-14-19(13-24)15-26(16-25)12-10-18-3-7-21(23)8-4-18/h1-8,19H,9-12,14-16H2
InChIKey CIIWTFUMICRVQE-UHFFFAOYSA-N
Melting Point 84C
Molecular Weight 388.34
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 5-PYRIMIDINECARBONITRILE, 1,3-BIS(p-CHLOROPHENETHYL)HEXAHYDRO-,