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2-(4-benzyl-1-piperidinyl)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID 8nAyLGOjc49
InChI InChI=1S/C30H32N4O3S2/c1-20-7-5-13-33-26(20)31-27(32-14-11-22(12-15-32)17-21-8-3-2-4-9-21)24(28(33)35)18-25-29(36)34(30(38)39-25)19-23-10-6-16-37-23/h2-5,7-9,13,18,22-23H,6,10-12,14-17,19H2,1H3/b25-18-
InChIKey OARLUMXMHPCEIX-BWAHOGKJSA-N
Mol Weight 560.7 g/mol
Molecular Formula C30H32N4O3S2
Exact Mass 560.191583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 597bG9uKf9N
Name 2-(4-benzyl-1-piperidinyl)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
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/C30H32N4O3S2/c1-20-7-5-13-33-26(20)31-27(32-14-11-22(12-15-32)17-21-8-3-2-4-9-21)24(28(33)35)18-25-29(36)34(30(38)39-25)19-23-10-6-16-37-23/h2-5,7-9,13,18,22-23H,6,10-12,14-17,19H2,1H3/b25-18-
InChIKey OARLUMXMHPCEIX-BWAHOGKJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8293
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: 129592; Labnumber: EX00120005; VK_ID: VK-008297
Synonyms 2-(4-benzyl-1-piperidinyl)-9-methyl-3-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Temperature 318 °C