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methyl 4-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID 4y6ofccTykB
InChI InChI=1S/C14H14N4O4S/c1-22-13(21)8-2-4-9(5-3-8)16-12(20)7-23-14-17-10(15)6-11(19)18-14/h2-6H,7H2,1H3,(H,16,20)(H3,15,17,18,19)
InChIKey FLNSNLYMPVTREI-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C14H14N4O4S
Exact Mass 334.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kMPOIVVHj8
Name methyl 4-({[(4-amino-6-oxo-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/C14H14N4O4S/c1-22-13(21)8-2-4-9(5-3-8)16-12(20)7-23-14-17-10(15)6-11(19)18-14/h2-6H,7H2,1H3,(H,16,20)(H3,15,17,18,19)
InChIKey FLNSNLYMPVTREI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8650
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: UZI/1267955; Labnumber: DOR1372; UZI_ID: UZI-008652
Temperature 318 °C