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N-[2,4-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methyl-2-thiophenecarboxamide
SpectraBase Compound ID KuebHPhjwRk
InChI InChI=1S/C18H11F12NO3S/c1-31(12(32)11-3-2-6-35-11)10-5-4-8(13(33,15(19,20)21)16(22,23)24)7-9(10)14(34,17(25,26)27)18(28,29)30/h2-7,33-34H,1H3
InChIKey NLMMMDXLCBEJHQ-UHFFFAOYSA-N
Mol Weight 549.33 g/mol
Molecular Formula C18H11F12NO3S
Exact Mass 549.026802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQEfOUPm68V
Name 2-thiophenecarboxamide, N-[2,4-bis[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-N-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.026802345 u
Formula C18H11F12NO3S
InChI InChI=1S/C18H11F12NO3S/c1-31(12(32)11-3-2-6-35-11)10-5-4-8(13(33,15(19,20)21)16(22,23)24)7-9(10)14(34,17(25,26)27)18(28,29)30/h2-7,33-34H,1H3
InChIKey NLMMMDXLCBEJHQ-UHFFFAOYSA-N
Molecular Weight 549.331 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5325
Solvent DMSO-d6
Source Vendor ID: NMR/9243991; Lab Info: AU; Lab Number: AU-EC00838