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(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylthio)benzylidene)-1H-inden-3-yl)acetic acid, tms
SpectraBase Compound ID HcuuwZz2EfN
InChI InChI=1S/C23H25FO2SSi/c1-15-20(12-16-6-9-18(27-2)10-7-16)19-11-8-17(24)13-22(19)21(15)14-23(25)26-28(3,4)5/h6-13H,14H2,1-5H3/b20-12-
InChIKey KLZXVORSBLICDC-NDENLUEZSA-N
Mol Weight 412.59 g/mol
Molecular Formula C23H25FO2SSi
Exact Mass 412.132856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ6thJHMbAg
Name (Z)-2-(5-Fluoro-2-methyl-1-(4-(methylthio)benzylidene)-1H-inden-3-yl)acetic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 412.132855915 u
Formula C23H25FO2SSi
InChI InChI=1S/C23H25FO2SSi/c1-15-20(12-16-6-9-18(27-2)10-7-16)19-11-8-17(24)13-22(19)21(15)14-23(25)26-28(3,4)5/h6-13H,14H2,1-5H3/b20-12-
InChIKey KLZXVORSBLICDC-NDENLUEZSA-N
Molecular Weight 412.594 g/mol
SMILES C=1(\C(=C\C2=CC=C(SC)C=C2)C=2C(C1CC(O[Si](C)(C)C)=O)=CC(=CC2)F)C