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4-[(1E)-2-(5,5-Dimethyl-8-p-tolyl-5,6-dihydronaphthalen-2-yl)-eth-1-en-1-yl]-3-fluorobenzoic acid
SpectraBase Compound ID LJ5nLCYVlah
InChI InChI=1S/C28H25FO2/c1-18-4-8-20(9-5-18)23-14-15-28(2,3)25-13-7-19(16-24(23)25)6-10-21-11-12-22(27(30)31)17-26(21)29/h4-14,16-17H,15H2,1-3H3,(H,30,31)/b10-6+
InChIKey ZUNYRFVUCBMQLB-UXBLZVDNSA-N
Mol Weight 412.5 g/mol
Molecular Formula C28H25FO2
Exact Mass 412.183858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RqaZIkN4Zg
Name 4-[(1E)-2-(5,5-Dimethyl-8-p-tolyl-5,6-dihydronaphthalen-2-yl)-eth-1-en-1-yl]-3-fluorobenzoic acid
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Formula C28H25FO2
InChI InChI=1S/C28H25FO2/c1-18-4-8-20(9-5-18)23-14-15-28(2,3)25-13-7-19(16-24(23)25)6-10-21-11-12-22(27(30)31)17-26(21)29/h4-14,16-17H,15H2,1-3H3,(H,30,31)/b10-6+
InChIKey ZUNYRFVUCBMQLB-UXBLZVDNSA-N
Molecular Weight 412.504 g/mol
SMILES OC(c1cc(c(cc1)\C=C\c1cc2C(=CCC(c2cc1)(C)C)c1ccc(cc1)C)F)=O
SPLASH splash10-001i-0129000000-a34f14534b16e7004548
Source of Spectrum CMC-4-1638-5b
Synonyms (E)-4-(2-(5,5-dimethyl-8-(p-tolyl)-5,6-dihydronaphthalen-2-yl)vinyl)-3-fluorobenzoic acid
Wiley ID 1771519