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1H-isoindole-1,3(2H)-dione, 2-(3-chloro-4-methylphenyl)-5-(4-nitrophenoxy)-

View entire compound with spectra: 1 NMR

1H-isoindole-1,3(2H)-dione, 2-(3-chloro-4-methylphenyl)-5-(4-nitrophenoxy)-
SpectraBase Compound ID 4FxMG1dkXH8
InChI InChI=1S/C21H13ClN2O5/c1-12-2-3-14(10-19(12)22)23-20(25)17-9-8-16(11-18(17)21(23)26)29-15-6-4-13(5-7-15)24(27)28/h2-11H,1H3
InChIKey YMHICQHHHIHJPQ-UHFFFAOYSA-N
Mol Weight 408.8 g/mol
Molecular Formula C21H13ClN2O5
Exact Mass 408.051299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Cc6OyPdcMV
Name 1H-isoindole-1,3(2H)-dione, 2-(3-chloro-4-methylphenyl)-5-(4-nitrophenoxy)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.051299222 u
Formula C21H13ClN2O5
InChI InChI=1S/C21H13ClN2O5/c1-12-2-3-14(10-19(12)22)23-20(25)17-9-8-16(11-18(17)21(23)26)29-15-6-4-13(5-7-15)24(27)28/h2-11H,1H3
InChIKey YMHICQHHHIHJPQ-UHFFFAOYSA-N
Molecular Weight 408.797 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5750
Solvent DMSO-d6
Source Vendor ID: NMR/9254384; Lab Info: AI; Lab Number: AI-S000687