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1H-isoindole-1,3(2H)-dione, hexahydro-2-[2-[(2-oxo-2-phenylethyl)thio]-6-benzothiazolyl]-
SpectraBase Compound ID AORf6yltW0L
InChI InChI=1S/C23H20N2O3S2/c26-19(14-6-2-1-3-7-14)13-29-23-24-18-11-10-15(12-20(18)30-23)25-21(27)16-8-4-5-9-17(16)22(25)28/h1-3,6-7,10-12,16-17H,4-5,8-9,13H2
InChIKey XBQAMBADRMKOSC-UHFFFAOYSA-N
Mol Weight 436.54 g/mol
Molecular Formula C23H20N2O3S2
Exact Mass 436.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IPtPvjgfNE2
Name 1H-isoindole-1,3(2H)-dione, hexahydro-2-[2-[(2-oxo-2-phenylethyl)thio]-6-benzothiazolyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.091534857 u
Formula C23H20N2O3S2
InChI InChI=1S/C23H20N2O3S2/c26-19(14-6-2-1-3-7-14)13-29-23-24-18-11-10-15(12-20(18)30-23)25-21(27)16-8-4-5-9-17(16)22(25)28/h1-3,6-7,10-12,16-17H,4-5,8-9,13H2
InChIKey XBQAMBADRMKOSC-UHFFFAOYSA-N
Molecular Weight 436.544 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2775
Solvent DMSO-d6
Source Vendor ID: NMR/9223587; Lab Info: LP; Lab Number: LP-0609043
Temperature 29.85 °C