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pentyl [(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
SpectraBase Compound ID ESu4SeN9tTs
InChI InChI=1S/C27H34N2O3S2/c1-5-6-10-15-32-22(30)17-33-26-28-24-23(25(31)29(26)19-11-8-7-9-12-19)20-14-13-18(27(2,3)4)16-21(20)34-24/h7-9,11-12,18H,5-6,10,13-17H2,1-4H3
InChIKey GDJRAASOJJERMZ-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C27H34N2O3S2
Exact Mass 498.201085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEjRtKdK60B
Name pentyl [(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
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/C27H34N2O3S2/c1-5-6-10-15-32-22(30)17-33-26-28-24-23(25(31)29(26)19-11-8-7-9-12-19)20-14-13-18(27(2,3)4)16-21(20)34-24/h7-9,11-12,18H,5-6,10,13-17H2,1-4H3
InChIKey GDJRAASOJJERMZ-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12118
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801122; Labnumber: AE95-629; VK_ID: VK-012123
Temperature 318 °C