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methyl 4-[({[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID Bvzk5oYX8jR
InChI InChI=1S/C15H12F3N3O4S/c1-25-13(24)8-2-4-9(5-3-8)19-12(23)7-26-14-20-10(15(16,17)18)6-11(22)21-14/h2-6H,7H2,1H3,(H,19,23)(H,20,21,22)
InChIKey NMEBGMXIPVDJHI-UHFFFAOYSA-N
Mol Weight 387.33 g/mol
Molecular Formula C15H12F3N3O4S
Exact Mass 387.050062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2BUMkl6Wal6
Name methyl 4-[({[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H12F3N3O4S/c1-25-13(24)8-2-4-9(5-3-8)19-12(23)7-26-14-20-10(15(16,17)18)6-11(22)21-14/h2-6H,7H2,1H3,(H,19,23)(H,20,21,22)
InChIKey NMEBGMXIPVDJHI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18099
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D31816; Labnumber: VGU-0022665; SBI_ID: SBI-018102
Temperature 308 °C