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6H-anthra[1,9-cd]isoxazol-6-one, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[(3-fluorophenyl)amino]-
SpectraBase Compound ID TShYmY32Sx
InChI InChI=1S/C32H25FN4O4/c33-20-4-3-5-21(15-20)34-24-16-25(30-29-28(24)31(38)22-6-1-2-7-23(22)32(29)41-35-30)37-12-10-36(11-13-37)17-19-8-9-26-27(14-19)40-18-39-26/h1-9,14-16,34H,10-13,17-18H2
InChIKey FKEMVMZITNBCMD-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H25FN4O4
Exact Mass 548.185983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6soxFKSEbav
Name 6H-anthra[1,9-cd]isoxazol-6-one, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[(3-fluorophenyl)amino]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C32H25FN4O4/c33-20-4-3-5-21(15-20)34-24-16-25(30-29-28(24)31(38)22-6-1-2-7-23(22)32(29)41-35-30)37-12-10-36(11-13-37)17-19-8-9-26-27(14-19)40-18-39-26/h1-9,14-16,34H,10-13,17-18H2
InChIKey FKEMVMZITNBCMD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8639
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/12259111