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5-chloro-2-[4-({4-[4-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoyl]-1-piperazinyl}carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID GGPqHgW9C4L
InChI InChI=1S/C34H30Cl2N4O6/c35-21-5-11-25-27(17-21)33(45)39(31(25)43)23-7-1-19(2-8-23)29(41)37-13-15-38(16-14-37)30(42)20-3-9-24(10-4-20)40-32(44)26-12-6-22(36)18-28(26)34(40)46/h1-10,25-28H,11-18H2
InChIKey BUHDAECPVASFET-UHFFFAOYSA-N
Mol Weight 661.5 g/mol
Molecular Formula C34H30Cl2N4O6
Exact Mass 660.15424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIRtKBH6K78
Name 5-chloro-2-[4-({4-[4-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoyl]-1-piperazinyl}carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-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/C34H30Cl2N4O6/c35-21-5-11-25-27(17-21)33(45)39(31(25)43)23-7-1-19(2-8-23)29(41)37-13-15-38(16-14-37)30(42)20-3-9-24(10-4-20)40-32(44)26-12-6-22(36)18-28(26)34(40)46/h1-10,25-28H,11-18H2
InChIKey BUHDAECPVASFET-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4200
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: 112269; Labnumber: AMIR-4727; VK_ID: VK-004201
Temperature 308 °C