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benzoic acid, 4-[7-(1,1-dimethylethyl)-1,2,3,4,5,6,7,8-octahydro-2-oxobenzo[4,5]thieno[2,3-b]pyridin-4-yl]-
SpectraBase Compound ID 3mjgtDi6JpC
InChI InChI=1S/C22H25NO3S/c1-22(2,3)14-8-9-15-17(10-14)27-20-19(15)16(11-18(24)23-20)12-4-6-13(7-5-12)21(25)26/h4-7,14,16H,8-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey TUFXWLVRQXFKOB-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EiRZY23KOo
Name benzoic acid, 4-[7-(1,1-dimethylethyl)-1,2,3,4,5,6,7,8-octahydro-2-oxobenzo[4,5]thieno[2,3-b]pyridin-4-yl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H25NO3S/c1-22(2,3)14-8-9-15-17(10-14)27-20-19(15)16(11-18(24)23-20)12-4-6-13(7-5-12)21(25)26/h4-7,14,16H,8-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey TUFXWLVRQXFKOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4922
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/17231422; Labnumber: DUD-7030220