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3-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone

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3-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID DHQMzbgrJdi
InChI InChI=1S/C28H29ClN2O3/c1-19-17-23(18-20(2)26(19)29)34-16-8-4-7-15-31-27(21-11-13-22(33-3)14-12-21)30-25-10-6-5-9-24(25)28(31)32/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3
InChIKey SEFUTNATQUAFII-UHFFFAOYSA-N
Mol Weight 477.0 g/mol
Molecular Formula C28H29ClN2O3
Exact Mass 476.18667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Hka4feKwzb
Name 3-[5-(4-Chloro-3,5-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 476.186670499 u
Formula C28H29ClN2O3
InChI InChI=1S/C28H29ClN2O3/c1-19-17-23(18-20(2)26(19)29)34-16-8-4-7-15-31-27(21-11-13-22(33-3)14-12-21)30-25-10-6-5-9-24(25)28(31)32/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3
InChIKey SEFUTNATQUAFII-UHFFFAOYSA-N
Molecular Weight 477.004 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)OC)CCCCCOC=1C=C(C)C(=C(C1)C)Cl)=O