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2-(benzylsulfanyl)-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
SpectraBase Compound ID AS8aKSXPIOm
InChI InChI=1S/C24H21N3OS/c28-23-20-15-18-11-7-8-14-21(18)25-22(20)26-24(27(23)19-12-5-2-6-13-19)29-16-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14,16H2
InChIKey RWKQHGSNGRRTBK-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C24H21N3OS
Exact Mass 399.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHwjSHW0d4d
Name 2-(benzylsulfanyl)-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-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/C24H21N3OS/c28-23-20-15-18-11-7-8-14-21(18)25-22(20)26-24(27(23)19-12-5-2-6-13-19)29-16-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14,16H2
InChIKey RWKQHGSNGRRTBK-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12099
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: 801213; Labnumber: AE95-755; VK_ID: VK-012104
Temperature 318 °C