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methyl 4-({[(6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID FA0bnN7R5qU
InChI InChI=1S/C20H17N3O4S/c1-27-19(26)14-7-9-15(10-8-14)21-18(25)12-28-20-22-16(11-17(24)23-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKey VJDJHACEXAMHPF-UHFFFAOYSA-N
Mol Weight 395.43 g/mol
Molecular Formula C20H17N3O4S
Exact Mass 395.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FxAJP6oQpo6
Name methyl 4-({[(6-oxo-4-phenyl-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/C20H17N3O4S/c1-27-19(26)14-7-9-15(10-8-14)21-18(25)12-28-20-22-16(11-17(24)23-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKey VJDJHACEXAMHPF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18105
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: D31823; Labnumber: VGU-0022680; SBI_ID: SBI-018108
Temperature 308 °C