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4-isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-
SpectraBase Compound ID LZszz2bKMwI
InChI InChI=1S/C20H16ClFN2O4/c1-11-17(19(24-28-11)18-13(21)5-4-6-14(18)22)20(25)23-9-12-10-26-15-7-2-3-8-16(15)27-12/h2-8,12H,9-10H2,1H3,(H,23,25)
InChIKey MFXHUTMLHJEAQP-UHFFFAOYSA-N
Mol Weight 402.81 g/mol
Molecular Formula C20H16ClFN2O4
Exact Mass 402.078263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62CclwCCkCv
Name 4-isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.078262862 u
Formula C20H16ClFN2O4
InChI InChI=1S/C20H16ClFN2O4/c1-11-17(19(24-28-11)18-13(21)5-4-6-14(18)22)20(25)23-9-12-10-26-15-7-2-3-8-16(15)27-12/h2-8,12H,9-10H2,1H3,(H,23,25)
InChIKey MFXHUTMLHJEAQP-UHFFFAOYSA-N
Molecular Weight 402.809 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1809
Solvent DMSO-d6
Source Vendor ID: NMR/8306786; Lab Info: REM; Lab Number: REM-km00378