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acetamide, 2-[[6-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID BiGCAS7av2Q
InChI InChI=1S/C24H13F3N4O5S2/c25-24(26,27)16-3-1-2-4-17(16)28-20(32)11-37-23-29-18-8-6-12(10-19(18)38-23)30-21(33)14-7-5-13(31(35)36)9-15(14)22(30)34/h1-10H,11H2,(H,28,32)
InChIKey YBFRKPGRKHWTKY-UHFFFAOYSA-N
Mol Weight 558.51 g/mol
Molecular Formula C24H13F3N4O5S2
Exact Mass 558.027946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJUdvRiKg89
Name acetamide, 2-[[6-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]-N-[2-(trifluoromethyl)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 558.027946367 u
Formula C24H13F3N4O5S2
InChI InChI=1S/C24H13F3N4O5S2/c25-24(26,27)16-3-1-2-4-17(16)28-20(32)11-37-23-29-18-8-6-12(10-19(18)38-23)30-21(33)14-7-5-13(31(35)36)9-15(14)22(30)34/h1-10H,11H2,(H,28,32)
InChIKey YBFRKPGRKHWTKY-UHFFFAOYSA-N
Molecular Weight 558.506 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9915
Solvent DMSO-d6
Source Vendor ID: NMR/9244589; Lab Info: LP; Lab Number: LP-0609092