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6-(4,5,6,7-Tetrachloro-1,3-diketo-isoindolin-2-yl)hexanoic acid butyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

6-(4,5,6,7-Tetrachloro-1,3-diketo-isoindolin-2-yl)hexanoic acid butyl ester
SpectraBase Compound ID EYDP00XLNIh
InChI InChI=1S/C18H19Cl4NO4/c1-2-3-9-27-10(24)7-5-4-6-8-23-17(25)11-12(18(23)26)14(20)16(22)15(21)13(11)19/h2-9H2,1H3
InChIKey AUBRIAWSFLXFGI-UHFFFAOYSA-N
Mol Weight 455.2 g/mol
Molecular Formula C18H19Cl4NO4
Exact Mass 453.006819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZmpvU2UJC4
Name 1H-isoindole-2-hexanoic acid, 4,5,6,7-tetrachloro-2,3-dihydro-1,3-dioxo-, butyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.006818892 u
Formula C18H19Cl4NO4
InChI InChI=1S/C18H19Cl4NO4/c1-2-3-9-27-10(24)7-5-4-6-8-23-17(25)11-12(18(23)26)14(20)16(22)15(21)13(11)19/h2-9H2,1H3
InChIKey AUBRIAWSFLXFGI-UHFFFAOYSA-N
Molecular Weight 455.165 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_350
Solvent DMSO-d6
Source Vendor ID: ZI/7103855; Lab Info: AI; Lab Number: AI-0159766
Temperature 29.85 °C