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benzoic acid, 4-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID DCvDE32sQ4h
InChI InChI=1S/C21H21N3O3S2/c1-3-27-21(26)13-7-9-14(10-8-13)24-17(25)11-28-19-18-15-5-4-6-16(15)29-20(18)23-12(2)22-19/h7-10H,3-6,11H2,1-2H3,(H,24,25)
InChIKey ARBIXLSVTNMSCI-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lvi9nRszYfP
Name benzoic acid, 4-[[[(6,7-dihydro-2-methyl-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/C21H21N3O3S2/c1-3-27-21(26)13-7-9-14(10-8-13)24-17(25)11-28-19-18-15-5-4-6-16(15)29-20(18)23-12(2)22-19/h7-10H,3-6,11H2,1-2H3,(H,24,25)
InChIKey ARBIXLSVTNMSCI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_683
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/11228349