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 Google Search
Mol Weight	687.0 g/mol
Molecular Formula	C40H50N2O2S3
Exact Mass	686.303442 g/mol

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SpectraBase Spectrum ID	D4T87pwrmin
Name	3,5-BIS{{{[(3-ETHYL-5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHYL)CARBONYL]METHYL}THIO}}-4-ISOTHIAZOLECARBONITRILE
Source of Sample	Maybridge Chemical Company Ltd., North Cornwall, England
Comments	Some carbon atoms are unassigned
Copyright	Copyright © 1980, 1981-2025 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
Melting Point	150C
Molecular Weight	687.05
Solvent	Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms	4-ISOTHIAZOLECARBONITRILE, 3,5-BIS- ////3-ETHYL-5,6,7,8-TETRAHYDRO- 5,5,8,8-TETRAMETHYL-2-NAPHTHYL/- CARBONYL/METHYL/THIO/-,