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benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
SpectraBase Compound ID LOwsWhd0UJC
InChI InChI=1S/C22H25N3O3S2/c23-15-19-18-10-3-4-11-20(18)29-22(19)24-21(26)16-8-7-9-17(14-16)30(27,28)25-12-5-1-2-6-13-25/h7-9,14H,1-6,10-13H2,(H,24,26)
InChIKey CHDXVPKFCJPHTF-UHFFFAOYSA-N
Mol Weight 443.58 g/mol
Molecular Formula C22H25N3O3S2
Exact Mass 443.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8a3ipSPJqih
Name benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.133734022 u
Formula C22H25N3O3S2
InChI InChI=1S/C22H25N3O3S2/c23-15-19-18-10-3-4-11-20(18)29-22(19)24-21(26)16-8-7-9-17(14-16)30(27,28)25-12-5-1-2-6-13-25/h7-9,14H,1-6,10-13H2,(H,24,26)
InChIKey CHDXVPKFCJPHTF-UHFFFAOYSA-N
Molecular Weight 443.580 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1206
Solvent DMSO-d6
Source Vendor ID: NMR/8267134; Lab Info: SP; Lab Number: SP-0002401