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ethyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2XjqzVXTD7a
InChI InChI=1S/C16H16F7NO3S/c1-3-27-12(25)10-8-5-4-7(2)6-9(8)28-11(10)24-13(26)14(17,18)15(19,20)16(21,22)23/h7H,3-6H2,1-2H3,(H,24,26)
InChIKey LNGCEQPUVUPRHG-UHFFFAOYSA-N
Mol Weight 435.36 g/mol
Molecular Formula C16H16F7NO3S
Exact Mass 435.073912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8dTCglWQLsE
Name ethyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-6-methyl-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/C16H16F7NO3S/c1-3-27-12(25)10-8-5-4-7(2)6-9(8)28-11(10)24-13(26)14(17,18)15(19,20)16(21,22)23/h7H,3-6H2,1-2H3,(H,24,26)
InChIKey LNGCEQPUVUPRHG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14951
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/6171524; Labnumber: NSB-0000820; UZI_ID: UZI-014955
Temperature 308 °C