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1H-isoindole-1,3(2H)-dione, 2-[2-[[(2,6-dichlorophenyl)methyl]thio]-6-benzothiazolyl]hexahydro-
SpectraBase Compound ID JCZ7sjHs9Ck
InChI InChI=1S/C22H18Cl2N2O2S2/c23-16-6-3-7-17(24)15(16)11-29-22-25-18-9-8-12(10-19(18)30-22)26-20(27)13-4-1-2-5-14(13)21(26)28/h3,6-10,13-14H,1-2,4-5,11H2
InChIKey XEFUOTZBTJLWHM-UHFFFAOYSA-N
Mol Weight 477.42 g/mol
Molecular Formula C22H18Cl2N2O2S2
Exact Mass 476.018676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kqdEJmORBy
Name 1H-isoindole-1,3(2H)-dione, 2-[2-[[(2,6-dichlorophenyl)methyl]thio]-6-benzothiazolyl]hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.018675574 u
Formula C22H18Cl2N2O2S2
InChI InChI=1S/C22H18Cl2N2O2S2/c23-16-6-3-7-17(24)15(16)11-29-22-25-18-9-8-12(10-19(18)30-22)26-20(27)13-4-1-2-5-14(13)21(26)28/h3,6-10,13-14H,1-2,4-5,11H2
InChIKey XEFUOTZBTJLWHM-UHFFFAOYSA-N
Molecular Weight 477.424 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2774
Solvent DMSO-d6
Source Vendor ID: NMR/9223586; Lab Info: LP; Lab Number: LP-0609041
Temperature 29.85 °C