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[1,3]dioxolo[4,5-g]quinazoline-7-hexanamide, N-(1,3-benzodioxol-5-ylmethyl)-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7,8-dihydro-8-oxo-
SpectraBase Compound ID FXR9Wt7i8Kp
InChI InChI=1S/C31H28BrN3O7S/c32-21-8-6-20(7-9-21)24(36)16-43-31-34-23-14-28-27(41-18-42-28)13-22(23)30(38)35(31)11-3-1-2-4-29(37)33-15-19-5-10-25-26(12-19)40-17-39-25/h5-10,12-14H,1-4,11,15-18H2,(H,33,37)
InChIKey LQHGAZPHDWVQQE-UHFFFAOYSA-N
Mol Weight 666.54 g/mol
Molecular Formula C31H28BrN3O7S
Exact Mass 665.083134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DBssdDYTShi
Name [1,3]dioxolo[4,5-g]quinazoline-7-hexanamide, N-(1,3-benzodioxol-5-ylmethyl)-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7,8-dihydro-8-oxo-
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/C31H28BrN3O7S/c32-21-8-6-20(7-9-21)24(36)16-43-31-34-23-14-28-27(41-18-42-28)13-22(23)30(38)35(31)11-3-1-2-4-29(37)33-15-19-5-10-25-26(12-19)40-17-39-25/h5-10,12-14H,1-4,11,15-18H2,(H,33,37)
InChIKey LQHGAZPHDWVQQE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6651
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: NMR/12219945