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methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-2-[(2-thienylcarbonyl)amino]propanoate
SpectraBase Compound ID I9eWAGNjlyd
InChI InChI=1S/C17H18F3NO5S/c1-15(2)7-9(22)12(10(23)8-15)16(14(25)26-3,17(18,19)20)21-13(24)11-5-4-6-27-11/h4-6,22H,7-8H2,1-3H3,(H,21,24)
InChIKey OUJBCSAFUZEXMG-UHFFFAOYSA-N
Mol Weight 405.39 g/mol
Molecular Formula C17H18F3NO5S
Exact Mass 405.085778 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYHaNDP1gVe
Name methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-2-[(2-thienylcarbonyl)amino]propanoate
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/C17H18F3NO5S/c1-15(2)7-9(22)12(10(23)8-15)16(14(25)26-3,17(18,19)20)21-13(24)11-5-4-6-27-11/h4-6,22H,7-8H2,1-3H3,(H,21,24)
InChIKey OUJBCSAFUZEXMG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5639
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: D23479; Labnumber: SOK-1347; SBI_ID: SBI-005641
Temperature 318 °C