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1H-isoindole-1,3(2H)-dione, 2-[2-[[(3-acetyl-2,4,6-trimethylphenyl)methyl]thio]-6-benzothiazolyl]-
SpectraBase Compound ID 3UpC0NsYC57
InChI InChI=1S/C27H22N2O3S2/c1-14-11-15(2)24(17(4)30)16(3)21(14)13-33-27-28-22-10-9-18(12-23(22)34-27)29-25(31)19-7-5-6-8-20(19)26(29)32/h5-12H,13H2,1-4H3
InChIKey QLTMVYKELJXOQT-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H22N2O3S2
Exact Mass 486.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PK5oXMFu6b
Name 1H-isoindole-1,3(2H)-dione, 2-[2-[[(3-acetyl-2,4,6-trimethylphenyl)methyl]thio]-6-benzothiazolyl]-
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/C27H22N2O3S2/c1-14-11-15(2)24(17(4)30)16(3)21(14)13-33-27-28-22-10-9-18(12-23(22)34-27)29-25(31)19-7-5-6-8-20(19)26(29)32/h5-12H,13H2,1-4H3
InChIKey QLTMVYKELJXOQT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1882
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: NMR/9234079; Labnumber: LP-0609100
Temperature 303 °C