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2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-(2-phenylethyl)-4(3H)-quinazolinone
SpectraBase Compound ID FuZJCKSqI0d
InChI InChI=1S/C24H19IN2O2/c25-19-9-12-22-21(16-19)24(29)27(15-14-17-4-2-1-3-5-17)23(26-22)13-8-18-6-10-20(28)11-7-18/h1-13,16,28H,14-15H2/b13-8+
InChIKey QZNFYEVUGWTDNB-MDWZMJQESA-N
Mol Weight 494.33 g/mol
Molecular Formula C24H19IN2O2
Exact Mass 494.049123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45eXsnXJw3U
Name 2-[(E)-2-(4-Hydroxyphenyl)ethenyl]-6-iodo-3-(2-phenylethyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.049122858 u
Formula C24H19IN2O2
InChI InChI=1S/C24H19IN2O2/c25-19-9-12-22-21(16-19)24(29)27(15-14-17-4-2-1-3-5-17)23(26-22)13-8-18-6-10-20(28)11-7-18/h1-13,16,28H,14-15H2/b13-8+
InChIKey QZNFYEVUGWTDNB-MDWZMJQESA-N
Molecular Weight 494.332 g/mol
SMILES OC=1C=CC(\C=C\C=2N(C(C=3C=C(I)C=CC3N2)=O)CCC2=CC=CC=C2)=CC1