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3-[5'-(Adamantan-1-yl)-3'-hydroxybiphenyl-4-yl]-acrylic Acid
SpectraBase Compound ID 4Zeg8hlHIMZ
InChI InChI=1S/C25H26O3/c26-23-11-21(20-4-1-16(2-5-20)3-6-24(27)28)10-22(12-23)25-13-17-7-18(14-25)9-19(8-17)15-25/h1-6,10-12,17-19,26H,7-9,13-15H2,(H,27,28)/b6-3+/t17-,18+,19-,25-
InChIKey YZRXDBPFFRVVME-ORXYZWTBSA-N
Mol Weight 374.48 g/mol
Molecular Formula C25H26O3
Exact Mass 374.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEUsjh7NWTi
Name 3-[5'-(Adamantan-1-yl)-3'-hydroxybiphenyl-4-yl]-acrylic Acid
Comments Less than 3 mono-isotopic peaks
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Formula C25H26O3
InChI InChI=1S/C25H26O3/c26-23-11-21(20-4-1-16(2-5-20)3-6-24(27)28)10-22(12-23)25-13-17-7-18(14-25)9-19(8-17)15-25/h1-6,10-12,17-19,26H,7-9,13-15H2,(H,27,28)/b6-3+/t17-,18+,19-,25-
InChIKey YZRXDBPFFRVVME-ORXYZWTBSA-N
Molecular Weight 374.480 g/mol
SMILES OC(\C=C\c1ccc(-c2cc(cc(c2)C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])O)cc1)=O
SPLASH splash10-052b-9006000000-91b1b004511bd1dadfbc
Source of Spectrum AF-48-4945-37
Synonyms (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]-2-propenoic acid (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]prop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-phenyl]phenyl]prop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-5-oxidanyl-phenyl]phenyl]prop-2-enoic acid
Wiley ID 1693972