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dimethyl 5-({[(6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)isophthalate
SpectraBase Compound ID HvcbdSn6X1A
InChI InChI=1S/C22H19N3O6S/c1-30-20(28)14-8-15(21(29)31-2)10-16(9-14)23-19(27)12-32-22-24-17(11-18(26)25-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKey CGJSSXBDSBQANY-UHFFFAOYSA-N
Mol Weight 453.47 g/mol
Molecular Formula C22H19N3O6S
Exact Mass 453.099457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AvEtbDcSdoZ
Name dimethyl 5-({[(6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)isophthalate
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/C22H19N3O6S/c1-30-20(28)14-8-15(21(29)31-2)10-16(9-14)23-19(27)12-32-22-24-17(11-18(26)25-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKey CGJSSXBDSBQANY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18107
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: D31825; Labnumber: VGU-0022683; SBI_ID: SBI-018110
Temperature 308 °C