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2-[2-(1,3-benzodioxol-5-yl)-1-methylethyl]-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID 3VHIuMAcNfl
InChI InChI=1S/C24H21FN2O3/c1-15(12-16-6-11-21-22(13-16)30-14-29-21)23-26-20-5-3-2-4-19(20)24(28)27(23)18-9-7-17(25)8-10-18/h2-11,13,15,23,26H,12,14H2,1H3
InChIKey ALLBFZSPIIVWLU-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C24H21FN2O3
Exact Mass 404.153621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A84Ll5m9gcx
Name 2-[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]-3-(4-fluorophenyl)-2,3-dihydro-4(1H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.153620704 u
Formula C24H21FN2O3
InChI InChI=1S/C24H21FN2O3/c1-15(12-16-6-11-21-22(13-16)30-14-29-21)23-26-20-5-3-2-4-19(20)24(28)27(23)18-9-7-17(25)8-10-18/h2-11,13,15,23,26H,12,14H2,1H3
InChIKey ALLBFZSPIIVWLU-UHFFFAOYSA-N
Molecular Weight 404.441 g/mol
SMILES N1C=2C=CC=CC2C(N(C1C(CC1=CC=2OCOC2C=C1)C)C1=CC=C(C=C1)F)=O