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4(3H)-quinazolinone, 2-[[(2-chlorophenyl)methyl]thio]-3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
SpectraBase Compound ID 5uRM70DIS9k
InChI InChI=1S/C24H19ClN2O3S/c25-19-9-3-1-7-16(19)15-31-24-26-20-10-4-2-8-18(20)23(28)27(24)13-17-14-29-21-11-5-6-12-22(21)30-17/h1-12,17H,13-15H2
InChIKey KCUXHCSDFJYPLY-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C24H19ClN2O3S
Exact Mass 450.080491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TGDvLkkI3H
Name 4(3H)-Quinazolinone, 2-[[(2-chlorophenyl)methyl]thio]-3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.080491351 u
Formula C24H19ClN2O3S
InChI InChI=1S/C24H19ClN2O3S/c25-19-9-3-1-7-16(19)15-31-24-26-20-10-4-2-8-18(20)23(28)27(24)13-17-14-29-21-11-5-6-12-22(21)30-17/h1-12,17H,13-15H2
InChIKey KCUXHCSDFJYPLY-UHFFFAOYSA-N
Molecular Weight 450.940 g/mol
SMILES C1=CC=C(CSC=2N(C(C=3C(=CC=CC3)N2)=O)CC2OC=3C=CC=CC3OC2)C(Cl)=C1