For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(E)-methyl 3-(((Z)-cyano(6',7'-dimethyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-ylidene)methyl)thio)-3-fluoro-2-(trifluoromethyl)acrylate

View entire compound with spectra: 1 NMR

(E)-methyl 3-(((Z)-cyano(6',7'-dimethyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-ylidene)methyl)thio)-3-fluoro-2-(trifluoromethyl)acrylate
SpectraBase Compound ID 11E5h3rHIcV
InChI InChI=1S/C23H24F4N2O2S/c1-13-9-15-11-22(7-5-4-6-8-22)29-19(16(15)10-14(13)2)17(12-28)32-20(24)18(21(30)31-3)23(25,26)27/h9-10,29H,4-8,11H2,1-3H3/b19-17-,20-18+
InChIKey KJEFTFOQOHTHAO-YAFCTCPESA-N
Mol Weight 468.51 g/mol
Molecular Formula C23H24F4N2O2S
Exact Mass 468.149462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6ziqMLmafuU
Name (E)-methyl 3-(((Z)-cyano(6',7'-dimethyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-ylidene)methyl)thio)-3-fluoro-2-(trifluoromethyl)acrylate
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/C23H24F4N2O2S/c1-13-9-15-11-22(7-5-4-6-8-22)29-19(16(15)10-14(13)2)17(12-28)32-20(24)18(21(30)31-3)23(25,26)27/h9-10,29H,4-8,11H2,1-3H3/b19-17-,20-18+
InChIKey KJEFTFOQOHTHAO-YAFCTCPESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1320
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: C95983; Labnumber: AKSIN-0082; SBI_ID: SBI-001322
Temperature 315 °C