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ethyl [(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate
SpectraBase Compound ID 3JwSmrYVIfC
InChI InChI=1S/C21H21N3O3S/c1-2-27-18(25)13-28-21-23-19-16(12-14-8-6-7-11-17(14)22-19)20(26)24(21)15-9-4-3-5-10-15/h3-5,9-10,12H,2,6-8,11,13H2,1H3
InChIKey VXRAXNBYQGUMIV-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wAJKH72Lg8
Name ethyl [(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-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/C21H21N3O3S/c1-2-27-18(25)13-28-21-23-19-16(12-14-8-6-7-11-17(14)22-19)20(26)24(21)15-9-4-3-5-10-15/h3-5,9-10,12H,2,6-8,11,13H2,1H3
InChIKey VXRAXNBYQGUMIV-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12089
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: 801211; Labnumber: AE95-753; VK_ID: VK-012094
Temperature 318 °C