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(Z)-1-(3-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene

View entire compound with spectra: 1 MS (GC)

(Z)-1-(3-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene
SpectraBase Compound ID ECwVVdhkKl5
InChI InChI=1S/C18H13F3S/c1-12-5-4-6-13(9-12)10-16-15-8-3-2-7-14(15)11-17(22-16)18(19,20)21/h2-11H,1H3/b16-10-
InChIKey JYRJIZRLYOYAIT-YBEGLDIGSA-N
Mol Weight 318.36 g/mol
Molecular Formula C18H13F3S
Exact Mass 318.069006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rORj2y6a78
Name (Z)-1-(3-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3S
InChI InChI=1S/C18H13F3S/c1-12-5-4-6-13(9-12)10-16-15-8-3-2-7-14(15)11-17(22-16)18(19,20)21/h2-11H,1H3/b16-10-
InChIKey JYRJIZRLYOYAIT-YBEGLDIGSA-N
Molecular Weight 318.357 g/mol
SMILES C=1(S\C(c2c(C1)cccc2)=C\c1cc(C)ccc1)C(F)(F)F
SPLASH splash10-014i-0029000000-a3e565804dbefb5000b5
Source of Spectrum F4-44-969-2c
Wiley ID 1706980