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Acetic acid, [[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)benzo[4,5]thieno[2,3-D]pyrimidin-2-yl]thio]-, pentyl ester
SpectraBase Compound ID LfuUbC2biGh
InChI InChI=1S/C24H28N2O3S2/c1-2-3-9-14-29-20(27)16-30-24-25-22-21(18-12-7-8-13-19(18)31-22)23(28)26(24)15-17-10-5-4-6-11-17/h4-6,10-11H,2-3,7-9,12-16H2,1H3
InChIKey OYAFNWKONQXPLX-UHFFFAOYSA-N
Mol Weight 456.62 g/mol
Molecular Formula C24H28N2O3S2
Exact Mass 456.154135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BmuJjPiWF4
Name acetic acid, [[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-, pentyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H28N2O3S2/c1-2-3-9-14-29-20(27)16-30-24-25-22-21(18-12-7-8-13-19(18)31-22)23(28)26(24)15-17-10-5-4-6-11-17/h4-6,10-11H,2-3,7-9,12-16H2,1H3
InChIKey OYAFNWKONQXPLX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_3075
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/11248597