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1-{3-[(3-Acetyl-4,6,8-trimethylazulen-1-yl)carbonyl]-5-isopropyl-8-methylazulen-1-yl}-2,2,2-trifluoroethanone
SpectraBase Compound ID LwQ3Es4mUlc
InChI InChI=1S/C32H29F3O3/c1-15(2)21-9-8-17(4)27-23(12-21)24(14-26(27)31(38)32(33,34)35)30(37)25-13-22(20(7)36)28-18(5)10-16(3)11-19(6)29(25)28/h8-15H,1-7H3
InChIKey IBGGSZXSFWFPJW-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C32H29F3O3
Exact Mass 518.206879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t0K2N5k7yT
Name 1-{3-[(3-Acetyl-4,6,8-trimethylazulen-1-yl)carbonyl]-5-isopropyl-8-methylazulen-1-yl}-2,2,2-trifluoroethanone
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Formula C32H29F3O3
InChI InChI=1S/C32H29F3O3/c1-15(2)21-9-8-17(4)27-23(12-21)24(14-26(27)31(38)32(33,34)35)30(37)25-13-22(20(7)36)28-18(5)10-16(3)11-19(6)29(25)28/h8-15H,1-7H3
InChIKey IBGGSZXSFWFPJW-UHFFFAOYSA-N
Molecular Weight 518.576 g/mol
SMILES C(c1c2c(cc(cc(c2c(C(=O)c2cc(c3c(ccc(cc23)C(C)C)C)C(=O)C(F)(F)F)c1)C)C)C)(=O)C
SPLASH splash10-0udi-0210290000-b0def601df3d285e83b4
Source of Spectrum H-93-1579-5hj
Synonyms 1-(3-(3-acetyl-4,6,8-trimethylazulene-1-carbonyl)-5-isopropyl-8-methylazulen-1-yl)-2,2,2-trifluoroethan-1-one
Wiley ID 1784084