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1,3-butanedione, 4,4,4-trifluoro-1-[4-(1H-pyrrol-1-yl)phenyl]-2-tricyclo[3.3.1.1~3,7~]dec-1-yl-
SpectraBase Compound ID IX24oBJVu7g
InChI InChI=1S/C24H24F3NO2/c25-24(26,27)22(30)20(23-12-15-9-16(13-23)11-17(10-15)14-23)21(29)18-3-5-19(6-4-18)28-7-1-2-8-28/h1-8,15-17,20H,9-14H2/t15-,16+,17-,20?,23-
InChIKey RBLRFWJHRWQNQJ-HHGWFKHMSA-N
Mol Weight 415.46 g/mol
Molecular Formula C24H24F3NO2
Exact Mass 415.175914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLTrtrbXyo5
Name 2-(1-adamantyl)-4,4,4-trifluoro-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione
Alternate Name(s) 2-(1-adamantyl)-4,4,4-trifluoro-1-[4-(1-pyrrolyl)phenyl]butane-1,3-dione 2-(1-adamantyl)-4,4,4-tris(fluoranyl)-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione 2-Adamantan-1-yl-4,4,4-trifluoro-1-(4-pyrrol-1-yl-phenyl)-butane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24F3NO2
InChI InChI=1S/C24H24F3NO2/c25-24(26,27)22(30)20(23-12-15-9-16(13-23)11-17(10-15)14-23)21(29)18-3-5-19(6-4-18)28-7-1-2-8-28/h1-8,15-17,20H,9-14H2/t15-,16+,17-,20?,23-
InChIKey RBLRFWJHRWQNQJ-HHGWFKHMSA-N
Molecular Weight 415.456 g/mol
SMILES C12(C(C(C(F)(F)F)=O)C(c3ccc(-[n]4cccc4)cc3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-00xr-7900000000-603f0a2ea3c2e659dbfb
Wiley ID 1465519