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7-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
SpectraBase Compound ID 4LDuXugnwGS
InChI InChI=1S/C25H24N4O3S/c1-15-18-12-20-21(32-14-31-20)13-19(18)26-24(30)22(15)33-25-28-27-23(16-8-4-2-5-9-16)29(25)17-10-6-3-7-11-17/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,26,30)
InChIKey AEJBUZCBACRXEG-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C25H24N4O3S
Exact Mass 460.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Cbpl3LNgox
Name 7-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-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/C25H24N4O3S/c1-15-18-12-20-21(32-14-31-20)13-19(18)26-24(30)22(15)33-25-28-27-23(16-8-4-2-5-9-16)29(25)17-10-6-3-7-11-17/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,26,30)
InChIKey AEJBUZCBACRXEG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18040
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: D31642; Labnumber: VGU-0022044; SBI_ID: SBI-018043
Temperature 318 °C