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benzoic acid, 4-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID BQWa0lwTnZG
InChI InChI=1S/C20H19N3O3S2/c1-2-26-20(25)12-6-8-13(9-7-12)23-16(24)10-27-18-17-14-4-3-5-15(14)28-19(17)22-11-21-18/h6-9,11H,2-5,10H2,1H3,(H,23,24)
InChIKey LJDYLLPOGKTZOA-UHFFFAOYSA-N
Mol Weight 413.51 g/mol
Molecular Formula C20H19N3O3S2
Exact Mass 413.086784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yPcJUn9DxX
Name benzoic acid, 4-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
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/C20H19N3O3S2/c1-2-26-20(25)12-6-8-13(9-7-12)23-16(24)10-27-18-17-14-4-3-5-15(14)28-19(17)22-11-21-18/h6-9,11H,2-5,10H2,1H3,(H,23,24)
InChIKey LJDYLLPOGKTZOA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_673
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: NMR/11228338