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5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylene]-2,3-dihydro-7-methyl-3-
SpectraBase Compound ID 7TQGHSc6Kwm
InChI InChI=1S/C31H26ClFN2O5S/c1-4-39-30(37)27-18(2)34-31-35(28(27)21-8-10-22(32)11-9-21)29(36)26(41-31)16-20-7-14-24(25(15-20)38-3)40-17-19-5-12-23(33)13-6-19/h5-16,28H,4,17H2,1-3H3/b26-16+
InChIKey MSNBNBKRFFWGSY-WGOQTCKBSA-N
Mol Weight 593.07 g/mol
Molecular Formula C31H26ClFN2O5S
Exact Mass 592.123499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65y1SLAvlJq
Name 5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]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 592.123498977 u
Formula C31H26ClFN2O5S
InChI InChI=1S/C31H26ClFN2O5S/c1-4-39-30(37)27-18(2)34-31-35(28(27)21-8-10-22(32)11-9-21)29(36)26(41-31)16-20-7-14-24(25(15-20)38-3)40-17-19-5-12-23(33)13-6-19/h5-16,28H,4,17H2,1-3H3/b26-16+
InChIKey MSNBNBKRFFWGSY-WGOQTCKBSA-N
Molecular Weight 593.069 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_600
Solvent DMSO-d6
Source Vendor ID: NMR/8267418; Lab Info: LD; Lab Number: LD-1300524
Temperature 23.85 °C