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3-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}-2-furyl)benzoic acid
SpectraBase Compound ID 63heEw6Hfph
InChI InChI=1S/C22H17N3O4S/c26-21-19-16-6-1-2-7-18(16)30-20(19)23-12-25(21)24-11-15-8-9-17(29-15)13-4-3-5-14(10-13)22(27)28/h3-5,8-12H,1-2,6-7H2,(H,27,28)/b24-11+
InChIKey GSXZUOGRZUOTKB-BHGWPJFGSA-N
Mol Weight 419.46 g/mol
Molecular Formula C22H17N3O4S
Exact Mass 419.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6uB7Bkr6Bm1
Name 3-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}-2-furyl)benzoic acid
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/C22H17N3O4S/c26-21-19-16-6-1-2-7-18(16)30-20(19)23-12-25(21)24-11-15-8-9-17(29-15)13-4-3-5-14(10-13)22(27)28/h3-5,8-12H,1-2,6-7H2,(H,27,28)/b24-11+
InChIKey GSXZUOGRZUOTKB-BHGWPJFGSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4370
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: 120162; Labnumber: PFC-211906; VK_ID: VK-004371
Synonyms 3-(5-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}-2-furyl)benzoic acid
Temperature 308 °C