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2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-bromophenyl)-8-(3-ethoxy-4-hydroxyphenyl)-3,4,7,8-tetrahydro-6-oxo-

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2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-bromophenyl)-8-(3-ethoxy-4-hydroxyphenyl)-3,4,7,8-tetrahydro-6-oxo-
SpectraBase Compound ID BOa84lnxMEE
InChI InChI=1S/C22H20BrN3O3S/c1-2-29-20-9-14(3-8-19(20)27)17-10-21(28)26-12-25(13-30-22(26)18(17)11-24)16-6-4-15(23)5-7-16/h3-9,17,27H,2,10,12-13H2,1H3
InChIKey XIQAEAAASKZZLT-UHFFFAOYSA-N
Mol Weight 486.38 g/mol
Molecular Formula C22H20BrN3O3S
Exact Mass 485.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3vLgDLfRlEA
Name 2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-bromophenyl)-8-(3-ethoxy-4-hydroxyphenyl)-3,4,7,8-tetrahydro-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 485.040875687 u
Formula C22H20BrN3O3S
InChI InChI=1S/C22H20BrN3O3S/c1-2-29-20-9-14(3-8-19(20)27)17-10-21(28)26-12-25(13-30-22(26)18(17)11-24)16-6-4-15(23)5-7-16/h3-9,17,27H,2,10,12-13H2,1H3
InChIKey XIQAEAAASKZZLT-UHFFFAOYSA-N
Molecular Weight 486.384 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3472
Solvent DMSO-d6
Source Vendor ID: NMR/13278494