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acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
SpectraBase Compound ID Ld289HUx3g0
InChI InChI=1S/C21H19N3O4S2/c1-2-8-24-20(26)18-13-4-3-5-16(13)30-19(18)23-21(24)29-10-17(25)22-12-6-7-14-15(9-12)28-11-27-14/h2,6-7,9H,1,3-5,8,10-11H2,(H,22,25)
InChIKey VFBXNNVILAWDJZ-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C21H19N3O4S2
Exact Mass 441.081698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6KuZ3KXgO9X
Name acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
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/C21H19N3O4S2/c1-2-8-24-20(26)18-13-4-3-5-16(13)30-19(18)23-21(24)29-10-17(25)22-12-6-7-14-15(9-12)28-11-27-14/h2,6-7,9H,1,3-5,8,10-11H2,(H,22,25)
InChIKey VFBXNNVILAWDJZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_947
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/11228656