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6-tert-pentyl-2-{[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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6-tert-pentyl-2-{[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID IqvVcd2LgPr
InChI InChI=1S/C21H21F11N2O2S/c1-4-15(2,3)8-5-6-9-10(7-8)37-13(11(9)12(33)35)34-14(36)16(22)17(23,24)19(27,28)21(31,32)20(29,30)18(16,25)26/h8H,4-7H2,1-3H3,(H2,33,35)(H,34,36)
InChIKey OTQIDRGYVWWEHH-UHFFFAOYSA-N
Mol Weight 574.45 g/mol
Molecular Formula C21H21F11N2O2S
Exact Mass 574.114809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9P3CeF6gOw
Name 6-tert-pentyl-2-{[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H21F11N2O2S/c1-4-15(2,3)8-5-6-9-10(7-8)37-13(11(9)12(33)35)34-14(36)16(22)17(23,24)19(27,28)21(31,32)20(29,30)18(16,25)26/h8H,4-7H2,1-3H3,(H2,33,35)(H,34,36)
InChIKey OTQIDRGYVWWEHH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16845
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/8186831; UBI_ID: UBI-016848
Temperature 308 °C