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benzoic acid, 4-(9-cyano-7,8-dihydro-8-[4-(1-methylethyl)phenyl]-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester

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benzoic acid, 4-(9-cyano-7,8-dihydro-8-[4-(1-methylethyl)phenyl]-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester
SpectraBase Compound ID LossGbjPRw2
InChI InChI=1S/C26H27N3O3S/c1-4-32-26(31)20-9-11-21(12-10-20)28-15-29-24(30)13-22(23(14-27)25(29)33-16-28)19-7-5-18(6-8-19)17(2)3/h5-12,17,22H,4,13,15-16H2,1-3H3
InChIKey UESFBSFGIABFHC-UHFFFAOYSA-N
Mol Weight 461.58 g/mol
Molecular Formula C26H27N3O3S
Exact Mass 461.177313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Q3dEZDEqtI
Name benzoic acid, 4-(9-cyano-7,8-dihydro-8-[4-(1-methylethyl)phenyl]-6-oxo-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl 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 461.177312912 u
Formula C26H27N3O3S
InChI InChI=1S/C26H27N3O3S/c1-4-32-26(31)20-9-11-21(12-10-20)28-15-29-24(30)13-22(23(14-27)25(29)33-16-28)19-7-5-18(6-8-19)17(2)3/h5-12,17,22H,4,13,15-16H2,1-3H3
InChIKey UESFBSFGIABFHC-UHFFFAOYSA-N
Molecular Weight 461.580 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3590
Solvent DMSO-d6
Source Vendor ID: NMR/13278619