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2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-2-methylphenyl)-3,4,7,8-tetrahydro-6-oxo-
SpectraBase Compound ID 8TLTqcGLDWp
InChI InChI=1S/C23H21BrClN3O3S/c1-3-31-20-8-14(7-17(24)22(20)30)15-9-21(29)28-11-27(12-32-23(28)16(15)10-26)19-6-4-5-18(25)13(19)2/h4-8,15,30H,3,9,11-12H2,1-2H3
InChIKey LDFJFZGGEGXJJB-UHFFFAOYSA-N
Mol Weight 534.86 g/mol
Molecular Formula C23H21BrClN3O3S
Exact Mass 533.017553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JwmkCFwxMaL
Name 2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-2-methylphenyl)-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 533.017553419 u
Formula C23H21BrClN3O3S
InChI InChI=1S/C23H21BrClN3O3S/c1-3-31-20-8-14(7-17(24)22(20)30)15-9-21(29)28-11-27(12-32-23(28)16(15)10-26)19-6-4-5-18(25)13(19)2/h4-8,15,30H,3,9,11-12H2,1-2H3
InChIKey LDFJFZGGEGXJJB-UHFFFAOYSA-N
Molecular Weight 534.856 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3139
Solvent DMSO-d6
Source Vendor ID: NMR/13278317