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2-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
SpectraBase Compound ID Dk1wCFolYmb
InChI InChI=1S/C21H25N5O3/c27-16(24-10-12-25(13-11-24)21-22-7-1-8-23-21)6-9-26-19(28)17-14-2-3-15(5-4-14)18(17)20(26)29/h1-3,7-8,14-15,17-18H,4-6,9-13H2
InChIKey FRVOSNZECGLZFQ-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C21H25N5O3
Exact Mass 395.19574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYiJqPQVwGH
Name 2-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
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/C21H25N5O3/c27-16(24-10-12-25(13-11-24)21-22-7-1-8-23-21)6-9-26-19(28)17-14-2-3-15(5-4-14)18(17)20(26)29/h1-3,7-8,14-15,17-18H,4-6,9-13H2
InChIKey FRVOSNZECGLZFQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6365
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/11328580