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1H-isoindole-1,3(2H)-dione, 2-[[[2-(4-chloro-2-methylphenoxy)ethyl][(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]amino]methyl]-
SpectraBase Compound ID DGX46zjb3xd
InChI InChI=1S/C27H22ClN3O5/c1-17-14-18(28)10-11-23(17)36-13-12-29(15-30-24(32)19-6-2-3-7-20(19)25(30)33)16-31-26(34)21-8-4-5-9-22(21)27(31)35/h2-11,14H,12-13,15-16H2,1H3
InChIKey CUFNHTWRJDXCDI-UHFFFAOYSA-N
Mol Weight 503.94 g/mol
Molecular Formula C27H22ClN3O5
Exact Mass 503.124799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3amvADhmjyf
Name 1H-isoindole-1,3(2H)-dione, 2-[[[2-(4-chloro-2-methylphenoxy)ethyl][(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]amino]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.124798515 u
Formula C27H22ClN3O5
InChI InChI=1S/C27H22ClN3O5/c1-17-14-18(28)10-11-23(17)36-13-12-29(15-30-24(32)19-6-2-3-7-20(19)25(30)33)16-31-26(34)21-8-4-5-9-22(21)27(31)35/h2-11,14H,12-13,15-16H2,1H3
InChIKey CUFNHTWRJDXCDI-UHFFFAOYSA-N
Molecular Weight 503.942 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17254
Solvent DMSO-d6
Source Vendor ID: NMR/10322627; Lab Info: LP; Lab Number: LP-0103331