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2-(4-chlorophenyl)-3-[5-(2,3,5-trimethylphenoxy)pentyl]-4(3H)-quinazolinone

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2-(4-chlorophenyl)-3-[5-(2,3,5-trimethylphenoxy)pentyl]-4(3H)-quinazolinone
SpectraBase Compound ID 6FowXbo596P
InChI InChI=1S/C28H29ClN2O2/c1-19-17-20(2)21(3)26(18-19)33-16-8-4-7-15-31-27(22-11-13-23(29)14-12-22)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 MGTOKGJLCSHYTJ-UHFFFAOYSA-N
Mol Weight 461.01 g/mol
Molecular Formula C28H29ClN2O2
Exact Mass 460.191756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UJkis7BPgK
Name 2-(4-Chlorophenyl)-3-[5-(2,3,5-trimethylphenoxy)pentyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 460.191755880 u
Formula C28H29ClN2O2
InChI InChI=1S/C28H29ClN2O2/c1-19-17-20(2)21(3)26(18-19)33-16-8-4-7-15-31-27(22-11-13-23(29)14-12-22)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 MGTOKGJLCSHYTJ-UHFFFAOYSA-N
Molecular Weight 461.005 g/mol
SMILES C=1C=CC=2C(N(C(=NC2C1)C=1C=CC(=CC1)Cl)CCCCCOC1=C(C(C)=CC(=C1)C)C)=O