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3,5-bis{{[(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-carbonyl]methyl}thio}-4-isothiazolecarbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

3,5-bis{{[(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-carbonyl]methyl}thio}-4-isothiazolecarbonitrile
SpectraBase Compound ID EqTRHdFJION
InChI InChI=1S/C40H50N2O2S3/c1-11-24-17-29-31(39(7,8)15-13-37(29,3)4)19-26(24)33(43)22-45-35-28(21-41)36(47-42-35)46-23-34(44)27-20-32-30(18-25(27)12-2)38(5,6)14-16-40(32,9)10/h17-20H,11-16,22-23H2,1-10H3
InChIKey HBJKPBYZTSPIFU-UHFFFAOYSA-N
Mol Weight 687.0 g/mol
Molecular Formula C40H50N2O2S3
Exact Mass 686.303442 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJUwGoBLpDF
Name 3,5-bis{{[(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)carbonyl]methyl}thio}-4-isothiazolecarbonitrile
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H50N2O2S3
InChI InChI=1S/C40H50N2O2S3/c1-11-24-17-29-31(39(7,8)15-13-37(29,3)4)19-26(24)33(43)22-45-35-28(21-41)36(47-42-35)46-23-34(44)27-20-32-30(18-25(27)12-2)38(5,6)14-16-40(32,9)10/h17-20H,11-16,22-23H2,1-10H3
InChIKey HBJKPBYZTSPIFU-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 22080M
Solvent CDCl3