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5-(4-Hexyloxybenzoyloxy)-2-(4-nitrophenyl)pyrimidine

View entire compound with spectra: 1 NMR

5-(4-Hexyloxybenzoyloxy)-2-(4-nitrophenyl)pyrimidine
SpectraBase Compound ID 47w4bZ5jWaV
InChI InChI=1S/C23H23N3O5/c1-2-3-4-5-14-30-20-12-8-18(9-13-20)23(27)31-21-15-24-22(25-16-21)17-6-10-19(11-7-17)26(28)29/h6-13,15-16H,2-5,14H2,1H3
InChIKey RCDQNJUHVXYWHU-UHFFFAOYSA-N
Mol Weight 421.45 g/mol
Molecular Formula C23H23N3O5
Exact Mass 421.163771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4On4hKg8QRV
Name 5-(4-Hexyloxybenzoyloxy)-2-(4-nitrophenyl)pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 421.163770848 u
Formula C23H23N3O5
InChI InChI=1S/C23H23N3O5/c1-2-3-4-5-14-30-20-12-8-18(9-13-20)23(27)31-21-15-24-22(25-16-21)17-6-10-19(11-7-17)26(28)29/h6-13,15-16H,2-5,14H2,1H3
InChIKey RCDQNJUHVXYWHU-UHFFFAOYSA-N
Molecular Weight 421.453 g/mol
SMILES C(OC1=CN=C(C2=CC=C(C=C2)N(=O)=O)N=C1)(=O)C1=CC=C(OCCCCCC)C=C1