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3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 2mJuZVIEpKw
InChI InChI=1S/C18H15N3O3S/c22-18-16-12-3-1-2-4-15(12)25-17(16)19-9-21(18)20-8-11-5-6-13-14(7-11)24-10-23-13/h5-9H,1-4,10H2/b20-8+
InChIKey PRJBAKXYGGQOIV-DNTJNYDQSA-N
Mol Weight 353.4 g/mol
Molecular Formula C18H15N3O3S
Exact Mass 353.083413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GzSMuXSyxmj
Name 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C18H15N3O3S/c22-18-16-12-3-1-2-4-15(12)25-17(16)19-9-21(18)20-8-11-5-6-13-14(7-11)24-10-23-13/h5-9H,1-4,10H2/b20-8+
InChIKey PRJBAKXYGGQOIV-DNTJNYDQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10639
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: 135273; Labnumber: PFC-211884; VK_ID: VK-010643
Synonyms 3-{[1,3-benzodioxol-5-ylmethylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Temperature 318 °C