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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID 9c4r1heFHch
InChI InChI=1S/C25H21N3OS2/c1-14-7-9-17-19(13-26)25(31-23(17)11-14)28-24(29)18-12-21(22-10-8-15(2)30-22)27-20-6-4-3-5-16(18)20/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,28,29)
InChIKey XBCZYCUXFAHKBL-UHFFFAOYSA-N
Mol Weight 443.58 g/mol
Molecular Formula C25H21N3OS2
Exact Mass 443.112605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BryMD4bMLT8
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
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/C25H21N3OS2/c1-14-7-9-17-19(13-26)25(31-23(17)11-14)28-24(29)18-12-21(22-10-8-15(2)30-22)27-20-6-4-3-5-16(18)20/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,28,29)
InChIKey XBCZYCUXFAHKBL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17387
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: UZI/9053357; UBI_ID: UBI-017390
Temperature 318 °C