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2-Methyl-3-[3'-(adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]-acrylic Acid
SpectraBase Compound ID HGaXiIPvOCU
InChI InChI=1S/C26H28O3/c1-16(25(28)29)8-17-2-4-21(5-3-17)22-6-7-24(27)23(12-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+/t18-,19+,20-,26-
InChIKey DEGMKVCJFDPLOO-KCBTZHOXSA-N
Mol Weight 388.51 g/mol
Molecular Formula C26H28O3
Exact Mass 388.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeV4jiJjkMs
Name 2-Methyl-3-[3'-(adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]-acrylic Acid
Alternate Name(s) (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-methyl-2-propenoic acid (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-methylprop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]-2-methyl-prop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]-2-methyl-prop-2-enoic acid
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Formula C26H28O3
InChI InChI=1S/C26H28O3/c1-16(25(28)29)8-17-2-4-21(5-3-17)22-6-7-24(27)23(12-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+/t18-,19+,20-,26-
InChIKey DEGMKVCJFDPLOO-KCBTZHOXSA-N
Molecular Weight 388.507 g/mol
SMILES OC(\C(=C\c1ccc(-c2cc(c(cc2)O)C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1)C)=O
SPLASH splash10-002r-4229000000-9eb24fb3b71580bb6b98
Source of Spectrum AF-48-4942-17a
Wiley ID 1693976