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2-(2-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-2-oxoethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
SpectraBase Compound ID 5BW5JPORKMr
InChI InChI=1S/C22H24ClN3O3/c1-13-2-5-16(23)11-17(13)24-6-8-25(9-7-24)18(27)12-26-21(28)19-14-3-4-15(10-14)20(19)22(26)29/h2-5,11,14-15,19-20H,6-10,12H2,1H3
InChIKey BJOLDUUGZACVEU-UHFFFAOYSA-N
Mol Weight 413.91 g/mol
Molecular Formula C22H24ClN3O3
Exact Mass 413.150619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A34DDYz6Nca
Name 2-(2-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-2-oxoethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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/C22H24ClN3O3/c1-13-2-5-16(23)11-17(13)24-6-8-25(9-7-24)18(27)12-26-21(28)19-14-3-4-15(10-14)20(19)22(26)29/h2-5,11,14-15,19-20H,6-10,12H2,1H3
InChIKey BJOLDUUGZACVEU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8241
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/12258437