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2-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-6-methyl-4H-3,1-benzoxazin-4-one
SpectraBase Compound ID H5EPJeM1FMp
InChI InChI=1S/C19H12Cl2N2O3/c1-9-6-7-14-11(8-9)19(24)25-18(22-14)15-10(2)26-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3
InChIKey HTVVMLGOANZVBI-UHFFFAOYSA-N
Mol Weight 387.22 g/mol
Molecular Formula C19H12Cl2N2O3
Exact Mass 386.022498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZPDSB8stIc
Name 2-[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]-6-methyl-4H-3,1-benzoxazin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.022497651 u
Formula C19H12Cl2N2O3
InChI InChI=1S/C19H12Cl2N2O3/c1-9-6-7-14-11(8-9)19(24)25-18(22-14)15-10(2)26-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3
InChIKey HTVVMLGOANZVBI-UHFFFAOYSA-N
Molecular Weight 387.222 g/mol
SMILES C=12C=C(C=CC1N=C(OC2=O)C=1C(=NOC1C)C=1C(=CC=CC1Cl)Cl)C