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1H-isoindole-1,3(2H)-dione, 2-[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]phenyl]-3a,4,7,7a-tetrahydro-
SpectraBase Compound ID BD0rJSX1kAY
InChI InChI=1S/C27H29N3O3/c1-18-7-5-12-24(19(18)2)28-13-15-29(16-14-28)25(31)20-8-6-9-21(17-20)30-26(32)22-10-3-4-11-23(22)27(30)33/h3-9,12,17,22-23H,10-11,13-16H2,1-2H3
InChIKey QWXXBJWMFZLVRO-UHFFFAOYSA-N
Mol Weight 443.55 g/mol
Molecular Formula C27H29N3O3
Exact Mass 443.220892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9hlAWhDH75W
Name 1H-isoindole-1,3(2H)-dione, 2-[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]phenyl]-3a,4,7,7a-tetrahydro-
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/C27H29N3O3/c1-18-7-5-12-24(19(18)2)28-13-15-29(16-14-28)25(31)20-8-6-9-21(17-20)30-26(32)22-10-3-4-11-23(22)27(30)33/h3-9,12,17,22-23H,10-11,13-16H2,1-2H3
InChIKey QWXXBJWMFZLVRO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6778
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/10278843