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dimethyl 5-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)isophthalate
SpectraBase Compound ID 85GS9TzJL7W
InChI InChI=1S/C17H17N3O6S/c1-9-4-13(21)20-17(18-9)27-8-14(22)19-12-6-10(15(23)25-2)5-11(7-12)16(24)26-3/h4-7H,8H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKey ACEHGLDUDSPAPV-UHFFFAOYSA-N
Mol Weight 391.4 g/mol
Molecular Formula C17H17N3O6S
Exact Mass 391.083806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JqBsMX3nGe8
Name dimethyl 5-({[(4-methyl-6-oxo-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/C17H17N3O6S/c1-9-4-13(21)20-17(18-9)27-8-14(22)19-12-6-10(15(23)25-2)5-11(7-12)16(24)26-3/h4-7H,8H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKey ACEHGLDUDSPAPV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18103
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: D31821; Labnumber: VGU-0022670; SBI_ID: SBI-018106
Temperature 308 °C