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1H-isoindole-1,3(2H)-dione, 2-[4-methyl-3-[(2-methylpropyl)thio]-5-(phenylsulfonyl)phenyl]-
SpectraBase Compound ID 48CH7SP8V90
InChI InChI=1S/C25H23NO4S2/c1-16(2)15-31-22-13-18(26-24(27)20-11-7-8-12-21(20)25(26)28)14-23(17(22)3)32(29,30)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3
InChIKey IXBBXSBHIPLYSH-UHFFFAOYSA-N
Mol Weight 465.58 g/mol
Molecular Formula C25H23NO4S2
Exact Mass 465.106851 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6I6zqQiPv4X
Name 1H-isoindole-1,3(2H)-dione, 2-[4-methyl-3-[(2-methylpropyl)thio]-5-(phenylsulfonyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.106850569 u
Formula C25H23NO4S2
InChI InChI=1S/C25H23NO4S2/c1-16(2)15-31-22-13-18(26-24(27)20-11-7-8-12-21(20)25(26)28)14-23(17(22)3)32(29,30)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3
InChIKey IXBBXSBHIPLYSH-UHFFFAOYSA-N
Molecular Weight 465.582 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15286
Solvent DMSO-d6
Source Vendor ID: NMR/11210906; Lab Info: DUT; Lab Number: DUT-dso0257