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1H-isoindole-2-hexanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2,3-dihydro-1,3-dioxo-
SpectraBase Compound ID BA4SwqVXkFE
InChI InChI=1S/C23H23N3O3S/c24-14-18-15-8-5-6-11-19(15)30-21(18)25-20(27)12-2-1-7-13-26-22(28)16-9-3-4-10-17(16)23(26)29/h3-4,9-10H,1-2,5-8,11-13H2,(H,25,27)
InChIKey SXBSKTJBUUFXGP-UHFFFAOYSA-N
Mol Weight 421.52 g/mol
Molecular Formula C23H23N3O3S
Exact Mass 421.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2N9GcHi5zyy
Name 1H-isoindole-2-hexanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2,3-dihydro-1,3-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.146012784 u
Formula C23H23N3O3S
InChI InChI=1S/C23H23N3O3S/c24-14-18-15-8-5-6-11-19(15)30-21(18)25-20(27)12-2-1-7-13-26-22(28)16-9-3-4-10-17(16)23(26)29/h3-4,9-10H,1-2,5-8,11-13H2,(H,25,27)
InChIKey SXBSKTJBUUFXGP-UHFFFAOYSA-N
Molecular Weight 421.515 g/mol
NMR Offset 17.9885
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16616
Solvent CDCl3
Source Vendor ID: NMR/11240811; Lab Info: L-02; Lab Number: L-0200004