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5,5-dimethyl-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1-piperazinyl]ethyl}amino)methylene]-1,3-cyclohexanedione
SpectraBase Compound ID 1WmWAORViZJ
InChI InChI=1S/C23H29N3O4/c1-23(2)13-19(27)18(20(28)14-23)15-24-7-8-25-9-11-26(12-10-25)21-16-5-3-4-6-17(16)22(29)30-21/h3-6,15,21,24H,7-14H2,1-2H3
InChIKey KMUKKCYQRFEQAI-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H29N3O4
Exact Mass 411.215806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KALxdisvgWx
Name 5,5-dimethyl-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1-piperazinyl]ethyl}amino)methylene]-1,3-cyclohexanedione
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/C23H29N3O4/c1-23(2)13-19(27)18(20(28)14-23)15-24-7-8-25-9-11-26(12-10-25)21-16-5-3-4-6-17(16)22(29)30-21/h3-6,15,21,24H,7-14H2,1-2H3
InChIKey KMUKKCYQRFEQAI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18063
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: D31670; Labnumber: VGU-0022109; SBI_ID: SBI-018066
Temperature 318 °C