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(Z)-1-(4-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene

View entire compound with spectra: 1 MS (GC)

(Z)-1-(4-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene
SpectraBase Compound ID IT1PrnBqfY6
InChI InChI=1S/C18H13F3S/c1-12-6-8-13(9-7-12)10-16-15-5-3-2-4-14(15)11-17(22-16)18(19,20)21/h2-11H,1H3/b16-10-
InChIKey YJPLKIZWKTWSDV-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 Illwb6DgXsH
Name (Z)-1-(4-Methylbenzylidene)-3-(trifluoromethyl)-1H-isothiochromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3S
InChI InChI=1S/C18H13F3S/c1-12-6-8-13(9-7-12)10-16-15-5-3-2-4-14(15)11-17(22-16)18(19,20)21/h2-11H,1H3/b16-10-
InChIKey YJPLKIZWKTWSDV-YBEGLDIGSA-N
Molecular Weight 318.357 g/mol
SMILES C=1(S\C(c2c(C1)cccc2)=C\c1ccc(cc1)C)C(F)(F)F
SPLASH splash10-014i-0009000000-25c70b81c6218d8ef76b
Source of Spectrum F4-44-969-2b
Wiley ID 1706981