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{[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
SpectraBase Compound ID JYyN5552K3i
InChI InChI=1S/C23H26N2O3S2/c1-13-5-8-15(9-6-13)25-21(28)19-16-10-7-14(23(2,3)4)11-17(16)30-20(19)24-22(25)29-12-18(26)27/h5-6,8-9,14H,7,10-12H2,1-4H3,(H,26,27)
InChIKey HNTHZESXVOYZPG-UHFFFAOYSA-N
Mol Weight 442.59 g/mol
Molecular Formula C23H26N2O3S2
Exact Mass 442.138485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7EOx4d5Gfjv
Name {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic 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/C23H26N2O3S2/c1-13-5-8-15(9-6-13)25-21(28)19-16-10-7-14(23(2,3)4)11-17(16)30-20(19)24-22(25)29-12-18(26)27/h5-6,8-9,14H,7,10-12H2,1-4H3,(H,26,27)
InChIKey HNTHZESXVOYZPG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12184
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: 801274; Labnumber: AE95-818; VK_ID: VK-012189
Temperature 308 °C