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methyl 6-tert-butyl-2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 6zbG0N2NLMO
InChI InChI=1S/C21H23F2NO3S/c1-21(2,3)11-8-9-12-15(10-11)28-19(16(12)20(26)27-4)24-18(25)17-13(22)6-5-7-14(17)23/h5-7,11H,8-10H2,1-4H3,(H,24,25)
InChIKey FXGBJQZTHIOXRI-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C21H23F2NO3S
Exact Mass 407.136671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTKxfqiYcYw
Name methyl 6-tert-butyl-2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H23F2NO3S/c1-21(2,3)11-8-9-12-15(10-11)28-19(16(12)20(26)27-4)24-18(25)17-13(22)6-5-7-14(17)23/h5-7,11H,8-10H2,1-4H3,(H,24,25)
InChIKey FXGBJQZTHIOXRI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8480
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: UZI/9031211; UBI_ID: UBI-008483
Temperature 313 °C