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2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromo-4-methoxyphenyl)-3,4,7,8-tetrahydro-6-oxo-3-phenyl-
SpectraBase Compound ID E7m1vW87WMs
InChI InChI=1S/C21H18BrN3O2S/c1-27-19-8-7-14(9-18(19)22)16-10-20(26)25-12-24(15-5-3-2-4-6-15)13-28-21(25)17(16)11-23/h2-9,16H,10,12-13H2,1H3
InChIKey ZAXJPZIQTVJJHO-UHFFFAOYSA-N
Mol Weight 456.36 g/mol
Molecular Formula C21H18BrN3O2S
Exact Mass 455.030311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDF2JUUaOUe
Name 2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromo-4-methoxyphenyl)-3,4,7,8-tetrahydro-6-oxo-3-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 455.030311004 u
Formula C21H18BrN3O2S
InChI InChI=1S/C21H18BrN3O2S/c1-27-19-8-7-14(9-18(19)22)16-10-20(26)25-12-24(15-5-3-2-4-6-15)13-28-21(25)17(16)11-23/h2-9,16H,10,12-13H2,1H3
InChIKey ZAXJPZIQTVJJHO-UHFFFAOYSA-N
Molecular Weight 456.358 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3740
Solvent DMSO-d6
Source Vendor ID: NMR/13278774