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1H-isoindole-2-hexanamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2,3-dihydro-1,3-dioxo-
SpectraBase Compound ID DNYd6TK49aV
InChI InChI=1S/C22H21N3O3S/c23-13-17-14-9-6-10-18(14)29-20(17)24-19(26)11-2-1-5-12-25-21(27)15-7-3-4-8-16(15)22(25)28/h3-4,7-8H,1-2,5-6,9-12H2,(H,24,26)
InChIKey OTMMWCGRQMSOLI-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HYz0REdAC2E
Name 1H-isoindole-2-hexanamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[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 407.130362719 u
Formula C22H21N3O3S
InChI InChI=1S/C22H21N3O3S/c23-13-17-14-9-6-10-18(14)29-20(17)24-19(26)11-2-1-5-12-25-21(27)15-7-3-4-8-16(15)22(25)28/h3-4,7-8H,1-2,5-6,9-12H2,(H,24,26)
InChIKey OTMMWCGRQMSOLI-UHFFFAOYSA-N
Molecular Weight 407.488 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15865
Solvent DMSO-d6
Source Vendor ID: NMR/11240812; Lab Info: L-02; Lab Number: L-0200005