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2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromophenyl)-3,4,7,8-tetrahydro-3-(4-methoxyphenyl)-6-oxo-
SpectraBase Compound ID CUHfAvhm7Fz
InChI InChI=1S/C21H18BrN3O2S/c1-27-17-7-5-16(6-8-17)24-12-25-20(26)10-18(14-3-2-4-15(22)9-14)19(11-23)21(25)28-13-24/h2-9,18H,10,12-13H2,1H3
InChIKey PPJKSWBPPJCUET-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 8pNfr40o7GB
Name 2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromophenyl)-3,4,7,8-tetrahydro-3-(4-methoxyphenyl)-6-oxo-
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/c1-27-17-7-5-16(6-8-17)24-12-25-20(26)10-18(14-3-2-4-15(22)9-14)19(11-23)21(25)28-13-24/h2-9,18H,10,12-13H2,1H3
InChIKey PPJKSWBPPJCUET-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_3717
Solvent DMSO-d6
Source Vendor ID: NMR/13278750