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5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylene]-2,3-dihydro-7-methyl-3-
SpectraBase Compound ID GdddWVH1gIS
InChI InChI=1S/C28H20BrN3O8S/c1-3-37-27(34)24-14(2)30-28-31(25(24)15-4-8-21-22(10-15)39-13-38-21)26(33)23(41-28)12-17-6-9-20(40-17)18-7-5-16(32(35)36)11-19(18)29/h4-12,25H,3,13H2,1-2H3/b23-12+
InChIKey RJZGLRLCURVMHV-FSJBWODESA-N
Mol Weight 638.45 g/mol
Molecular Formula C28H20BrN3O8S
Exact Mass 637.015449 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DFpjXpfTuKr
Name 5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylene]-2,3-dihydro-7-methyl-3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 637.015448782 u
Formula C28H20BrN3O8S
InChI InChI=1S/C28H20BrN3O8S/c1-3-37-27(34)24-14(2)30-28-31(25(24)15-4-8-21-22(10-15)39-13-38-21)26(33)23(41-28)12-17-6-9-20(40-17)18-7-5-16(32(35)36)11-19(18)29/h4-12,25H,3,13H2,1-2H3/b23-12+
InChIKey RJZGLRLCURVMHV-FSJBWODESA-N
Molecular Weight 638.445 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3072
Solvent DMSO-d6
Source Vendor ID: NMR/9258445; Lab Info: *1004315*; Lab Number: BAS 1004315
Temperature 23.85 °C