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4H-1,3,5-oxadiazine-4-carboxylic acid, 2-(4-chlorophenyl)-6-(4-morpholinyl)-4-(trifluoromethyl)-, methyl ester

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4H-1,3,5-oxadiazine-4-carboxylic acid, 2-(4-chlorophenyl)-6-(4-morpholinyl)-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 8T83j3Nn1jm
InChI InChI=1S/C16H15ClF3N3O4/c1-25-13(24)15(16(18,19)20)21-12(10-2-4-11(17)5-3-10)27-14(22-15)23-6-8-26-9-7-23/h2-5H,6-9H2,1H3
InChIKey AKOIHZGGBPWEKS-UHFFFAOYSA-N
Mol Weight 405.76 g/mol
Molecular Formula C16H15ClF3N3O4
Exact Mass 405.070318 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AantwbgLZLO
Name 4H-1,3,5-oxadiazine-4-carboxylic acid, 2-(4-chlorophenyl)-6-(4-morpholinyl)-4-(trifluoromethyl)-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.070318160 u
Formula C16H15ClF3N3O4
InChI InChI=1S/C16H15ClF3N3O4/c1-25-13(24)15(16(18,19)20)21-12(10-2-4-11(17)5-3-10)27-14(22-15)23-6-8-26-9-7-23/h2-5H,6-9H2,1H3
InChIKey AKOIHZGGBPWEKS-UHFFFAOYSA-N
Molecular Weight 405.761 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7362
Solvent DMSO-d6
Source Vendor ID: NMR/10230083; Lab Info: AU; Lab Number: AU-T000907