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4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one, 9-(4-fluorophenyl)-6,7,9,10-tetrahydro-6-(4-methoxyphenyl)-
SpectraBase Compound ID 29cwBMwOaEq
InChI InChI=1S/C22H19FN4O3/c1-29-16-8-4-12(5-9-16)14-10-17-19(18(28)11-14)20(13-2-6-15(23)7-3-13)25-22-21(24-17)26-30-27-22/h2-9,14,20H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKey IALFTBQCBIGBPX-UHFFFAOYSA-N
Mol Weight 406.42 g/mol
Molecular Formula C22H19FN4O3
Exact Mass 406.144119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BCKArpnGCAl
Name 4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one, 9-(4-fluorophenyl)-6,7,9,10-tetrahydro-6-(4-methoxyphenyl)-
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/C22H19FN4O3/c1-29-16-8-4-12(5-9-16)14-10-17-19(18(28)11-14)20(13-2-6-15(23)7-3-13)25-22-21(24-17)26-30-27-22/h2-9,14,20H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKey IALFTBQCBIGBPX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11552
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: F43239; Labnumber: VGU-131865
Temperature 315 °C