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3-(1,3-benzodioxol-5-yl)-6-methyl-4-{[4-(2-thienylcarbonyl)-1-piperazinyl]carbonyl}isoxazolo[5,4-b]pyridine
SpectraBase Compound ID 3spxDckcAO9
InChI InChI=1S/C24H20N4O5S/c1-14-11-16(23(29)27-6-8-28(9-7-27)24(30)19-3-2-10-34-19)20-21(26-33-22(20)25-14)15-4-5-17-18(12-15)32-13-31-17/h2-5,10-12H,6-9,13H2,1H3
InChIKey QRRXPJSUYJGFRT-UHFFFAOYSA-N
Mol Weight 476.51 g/mol
Molecular Formula C24H20N4O5S
Exact Mass 476.115441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkcDZ3piq9R
Name 3-(1,3-benzodioxol-5-yl)-6-methyl-4-{[4-(2-thienylcarbonyl)-1-piperazinyl]carbonyl}isoxazolo[5,4-b]pyridine
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/C24H20N4O5S/c1-14-11-16(23(29)27-6-8-28(9-7-27)24(30)19-3-2-10-34-19)20-21(26-33-22(20)25-14)15-4-5-17-18(12-15)32-13-31-17/h2-5,10-12H,6-9,13H2,1H3
InChIKey QRRXPJSUYJGFRT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33566
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: 1996098; SBI_ID: SBI-033570
Temperature 318 °C