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S-(2,3-dihydro-1-benzofuran-2-ylmethyl) 3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)-1-cyclopenten-1-ylthiocarbamate
SpectraBase Compound ID 2mQmh9ZOfEP
InChI InChI=1S/C16H10F9NO2S/c17-13(18)10(15(21,22)23)11(14(19,20)16(13,24)25)26-12(27)29-6-8-5-7-3-1-2-4-9(7)28-8/h1-4,8H,5-6H2,(H,26,27)
InChIKey YOZVJHMVAOOEPT-UHFFFAOYSA-N
Mol Weight 451.31 g/mol
Molecular Formula C16H10F9NO2S
Exact Mass 451.028853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ViQjGGggcF
Name S-(2,3-dihydro-1-benzofuran-2-ylmethyl) 3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)-1-cyclopenten-1-ylthiocarbamate
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/C16H10F9NO2S/c17-13(18)10(15(21,22)23)11(14(19,20)16(13,24)25)26-12(27)29-6-8-5-7-3-1-2-4-9(7)28-8/h1-4,8H,5-6H2,(H,26,27)
InChIKey YOZVJHMVAOOEPT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7430
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: D29754; Labnumber: NNOBK-1896; SBI_ID: SBI-007433
Temperature 315 °C