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1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide
SpectraBase Compound ID 5jQ3lYau8VG
InChI InChI=1S/C14H14ClF3N2O2S2/c1-2-23-13-19-10-6-24(21,22)7-12(10)20(13)11-5-8(14(16,17)18)3-4-9(11)15/h3-5,10,12H,2,6-7H2,1H3
InChIKey PTIVSAWSDAXJSI-UHFFFAOYSA-N
Mol Weight 398.85 g/mol
Molecular Formula C14H14ClF3N2O2S2
Exact Mass 398.013732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GE9cDziIbIM
Name 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide
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/C14H14ClF3N2O2S2/c1-2-23-13-19-10-6-24(21,22)7-12(10)20(13)11-5-8(14(16,17)18)3-4-9(11)15/h3-5,10,12H,2,6-7H2,1H3
InChIKey PTIVSAWSDAXJSI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36027
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: E98462; SBI_ID: SBI-036031
Synonyms 1-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl ethyl sulfide
Temperature 308 °C