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2-[(4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID 7jZdp3RLxC1
InChI InChI=1S/C20H23NO3S/c1-20(2,3)13-10-8-12(9-11-13)17(22)21-18-16(19(23)24)14-6-4-5-7-15(14)25-18/h8-11H,4-7H2,1-3H3,(H,21,22)(H,23,24)
InChIKey DIYDYTVBJNQNCR-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUqfDbJ8FFc
Name 2-[(4-tert-butylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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/C20H23NO3S/c1-20(2,3)13-10-8-12(9-11-13)17(22)21-18-16(19(23)24)14-6-4-5-7-15(14)25-18/h8-11H,4-7H2,1-3H3,(H,21,22)(H,23,24)
InChIKey DIYDYTVBJNQNCR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2795
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: 114358; Labnumber: RRKR1-006; VK_ID: VK-002796
Temperature 318 °C