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2-(4-benzyl-1-piperidinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID D7Nsgw7ruD
InChI InChI=1S/C28H30N4O2S2/c1-18(2)32-27(34)23(36-28(32)35)17-22-25(29-24-19(3)8-7-13-31(24)26(22)33)30-14-11-21(12-15-30)16-20-9-5-4-6-10-20/h4-10,13,17-18,21H,11-12,14-16H2,1-3H3/b23-17-
InChIKey IBVHIJBVBUGTEG-QJOMJCCJSA-N
Mol Weight 518.69 g/mol
Molecular Formula C28H30N4O2S2
Exact Mass 518.181019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID a700TI2Q1p
Name 2-(4-benzyl-1-piperidinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-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/C28H30N4O2S2/c1-18(2)32-27(34)23(36-28(32)35)17-22-25(29-24-19(3)8-7-13-31(24)26(22)33)30-14-11-21(12-15-30)16-20-9-5-4-6-10-20/h4-10,13,17-18,21H,11-12,14-16H2,1-3H3/b23-17-
InChIKey IBVHIJBVBUGTEG-QJOMJCCJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8287
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: 129583; Labnumber: EX00119994; VK_ID: VK-008291
Synonyms 2-(4-benzyl-1-piperidinyl)-3-[(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Temperature 318 °C