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methyl 3-[(3,7-dibenzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
SpectraBase Compound ID HxaVidn0zNO
InChI InChI=1S/C27H27N3O3S2/c1-33-23(31)13-15-34-27-28-25-24(26(32)30(27)17-20-10-6-3-7-11-20)21-12-14-29(18-22(21)35-25)16-19-8-4-2-5-9-19/h2-11H,12-18H2,1H3
InChIKey QTIRXEXWWOWVCX-UHFFFAOYSA-N
Mol Weight 505.65 g/mol
Molecular Formula C27H27N3O3S2
Exact Mass 505.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CsNDJSuowE4
Name methyl 3-[(3,7-dibenzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
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/C27H27N3O3S2/c1-33-23(31)13-15-34-27-28-25-24(26(32)30(27)17-20-10-6-3-7-11-20)21-12-14-29(18-22(21)35-25)16-19-8-4-2-5-9-19/h2-11H,12-18H2,1H3
InChIKey QTIRXEXWWOWVCX-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11947
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: 800777; Labnumber: AE95-458; VK_ID: VK-011952
Temperature 318 °C