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3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 2HuAD88Oago
InChI InChI=1S/C18H14N4O5S/c23-18-16-11-3-1-2-4-15(11)28-17(16)19-8-21(18)20-7-10-5-13-14(27-9-26-13)6-12(10)22(24)25/h5-8H,1-4,9H2/b20-7+
InChIKey LSQCIFVIGULTLZ-IFRROFPPSA-N
Mol Weight 398.39 g/mol
Molecular Formula C18H14N4O5S
Exact Mass 398.068491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6InTUYa8s8
Name 3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]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/C18H14N4O5S/c23-18-16-11-3-1-2-4-15(11)28-17(16)19-8-21(18)20-7-10-5-13-14(27-9-26-13)6-12(10)22(24)25/h5-8H,1-4,9H2/b20-7+
InChIKey LSQCIFVIGULTLZ-IFRROFPPSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4373
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: 120165; Labnumber: PFC-211970; VK_ID: VK-004374
Synonyms 3-{[(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Temperature 308 °C