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2-azetidinone, 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID CxIgGySraEk
InChI InChI=1S/C24H18F3NO4/c1-14-5-2-3-8-18(14)32-22-21(15-9-10-19-20(11-15)31-13-30-19)28(23(22)29)17-7-4-6-16(12-17)24(25,26)27/h2-12,21-22H,13H2,1H3
InChIKey QWWVMSACURUBBB-UHFFFAOYSA-N
Mol Weight 441.41 g/mol
Molecular Formula C24H18F3NO4
Exact Mass 441.118793 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6W17qwUKdAX
Name 2-azetidinone, 4-(1,3-benzodioxol-5-yl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.118792549 u
Formula C24H18F3NO4
InChI InChI=1S/C24H18F3NO4/c1-14-5-2-3-8-18(14)32-22-21(15-9-10-19-20(11-15)31-13-30-19)28(23(22)29)17-7-4-6-16(12-17)24(25,26)27/h2-12,21-22H,13H2,1H3
InChIKey QWWVMSACURUBBB-UHFFFAOYSA-N
Molecular Weight 441.406 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17944
Solvent DMSO-d6
Source Vendor ID: NMR/11270789; Lab Info: SAS; Lab Number: SAS-tst5122