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methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate

View entire compound with spectra: 1 NMR

methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate
SpectraBase Compound ID 3cFvPn9nO3v
InChI InChI=1S/C18H16F4N2O2S/c1-17(2)8-10-6-4-5-7-11(10)14(24-17)12(9-23)27-15(19)13(16(25)26-3)18(20,21)22/h4-7,24H,8H2,1-3H3/b14-12-,15-13+
InChIKey PDILYINKKLBNLN-PMJBJKLVSA-N
Mol Weight 400.39 g/mol
Molecular Formula C18H16F4N2O2S
Exact Mass 400.086862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xqEaLmFczN
Name methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate
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/C18H16F4N2O2S/c1-17(2)8-10-6-4-5-7-11(10)14(24-17)12(9-23)27-15(19)13(16(25)26-3)18(20,21)22/h4-7,24H,8H2,1-3H3/b14-12-,15-13+
InChIKey PDILYINKKLBNLN-PMJBJKLVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1332
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: C96001; Labnumber: AKSIN-0103; SBI_ID: SBI-001334
Synonyms methyl 3-{[cyano(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate
Temperature 315 °C