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acetamide, N-[2-[[2,3-dihydro-2-(4-methylphenyl)-1,3-dioxo-1H-benz[de]isoquinolin-6-yl]thio]phenyl]-
SpectraBase Compound ID aSYitJstLw
InChI InChI=1S/C27H20N2O3S/c1-16-10-12-18(13-11-16)29-26(31)20-7-5-6-19-23(15-14-21(25(19)20)27(29)32)33-24-9-4-3-8-22(24)28-17(2)30/h3-15H,1-2H3,(H,28,30)
InChIKey IPCRUEQPMDNBMA-UHFFFAOYSA-N
Mol Weight 452.53 g/mol
Molecular Formula C27H20N2O3S
Exact Mass 452.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JSBnZdqqBtB
Name acetamide, N-[2-[[2,3-dihydro-2-(4-methylphenyl)-1,3-dioxo-1H-benz[de]isoquinolin-6-yl]thio]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 452.119463683 u
Formula C27H20N2O3S
InChI InChI=1S/C27H20N2O3S/c1-16-10-12-18(13-11-16)29-26(31)20-7-5-6-19-23(15-14-21(25(19)20)27(29)32)33-24-9-4-3-8-22(24)28-17(2)30/h3-15H,1-2H3,(H,28,30)
InChIKey IPCRUEQPMDNBMA-UHFFFAOYSA-N
Molecular Weight 452.528 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4179
Solvent DMSO-d6
Source Vendor ID: ZI/5028258; Lab Info: MAR; Lab Number: MAR-000002