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2-(4-benzyl-1-piperidinyl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID minmhjUWYO
InChI InChI=1S/C29H32N4O3S2/c1-20-8-6-13-32-25(20)30-26(31-15-11-22(12-16-31)18-21-9-4-3-5-10-21)23(27(32)34)19-24-28(35)33(29(37)38-24)14-7-17-36-2/h3-6,8-10,13,19,22H,7,11-12,14-18H2,1-2H3/b24-19-
InChIKey VITULWHCJUBOAJ-CLCOLTQESA-N
Mol Weight 548.7 g/mol
Molecular Formula C29H32N4O3S2
Exact Mass 548.191583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fEAkcXJIxc
Name 2-(4-benzyl-1-piperidinyl)-3-{(Z)-[3-(3-methoxypropyl)-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/C29H32N4O3S2/c1-20-8-6-13-32-25(20)30-26(31-15-11-22(12-16-31)18-21-9-4-3-5-10-21)23(27(32)34)19-24-28(35)33(29(37)38-24)14-7-17-36-2/h3-6,8-10,13,19,22H,7,11-12,14-18H2,1-2H3/b24-19-
InChIKey VITULWHCJUBOAJ-CLCOLTQESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8292
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: 129591; Labnumber: EX00120004; VK_ID: VK-008296
Synonyms 2-(4-benzyl-1-piperidinyl)-3-{[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Temperature 318 °C