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ethyl 2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID TjO1zoa8Dq
InChI InChI=1S/C24H26N4O4S2/c1-3-32-23(31)21-16-9-4-5-10-17(16)34-22(21)26-20(30)13-33-24-27-19(29)12-18(25)28(24)15-8-6-7-14(2)11-15/h6-8,11-12H,3-5,9-10,13,25H2,1-2H3,(H,26,30)
InChIKey CIDSNPURKJPQHV-UHFFFAOYSA-N
Mol Weight 498.62 g/mol
Molecular Formula C24H26N4O4S2
Exact Mass 498.139548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DFVU50pmCyU
Name ethyl 2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C24H26N4O4S2/c1-3-32-23(31)21-16-9-4-5-10-17(16)34-22(21)26-20(30)13-33-24-27-19(29)12-18(25)28(24)15-8-6-7-14(2)11-15/h6-8,11-12H,3-5,9-10,13,25H2,1-2H3,(H,26,30)
InChIKey CIDSNPURKJPQHV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8974
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/1011183; Labnumber: GAL1910; UZI_ID: UZI-008976
Temperature 318 °C