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N-benzyl-2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID ApQgUKgvGyY
InChI InChI=1S/C29H31N3O2S2/c1-29(2,3)20-14-15-22-23(16-20)36-26-25(22)27(34)32(21-12-8-5-9-13-21)28(31-26)35-18-24(33)30-17-19-10-6-4-7-11-19/h4-13,20H,14-18H2,1-3H3,(H,30,33)
InChIKey AWBZKMZDCJUCQC-UHFFFAOYSA-N
Mol Weight 517.71 g/mol
Molecular Formula C29H31N3O2S2
Exact Mass 517.18577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2zwqzPx7wCA
Name N-benzyl-2-[(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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/C29H31N3O2S2/c1-29(2,3)20-14-15-22-23(16-20)36-26-25(22)27(34)32(21-12-8-5-9-13-21)28(31-26)35-18-24(33)30-17-19-10-6-4-7-11-19/h4-13,20H,14-18H2,1-3H3,(H,30,33)
InChIKey AWBZKMZDCJUCQC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_540
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/8241537; Labnumber: LP-2180493
Temperature 303 °C