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2-[3'-(Adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]-cyclopropane-1-carboxylic Acid
SpectraBase Compound ID 9rPPHkEDtqq
InChI InChI=1S/C26H28O3/c27-24-6-5-20(18-1-3-19(4-2-18)21-11-22(21)25(28)29)10-23(24)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10,15-17,21-22,27H,7-9,11-14H2,(H,28,29)/t15-,16+,17-,21?,22?,26-
InChIKey FQGRVYDSPVYIBO-UZXCZKOYSA-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 IaOLVQNnO5b
Name 2-[3'-(Adamantan-1-yl)-4'-hydroxybiphenyl-4-yl]-cyclopropane-1-carboxylic Acid
Comments Less than 3 mono-isotopic peaks
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Formula C26H28O3
InChI InChI=1S/C26H28O3/c27-24-6-5-20(18-1-3-19(4-2-18)21-11-22(21)25(28)29)10-23(24)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10,15-17,21-22,27H,7-9,11-14H2,(H,28,29)/t15-,16+,17-,21?,22?,26-
InChIKey FQGRVYDSPVYIBO-UZXCZKOYSA-N
Molecular Weight 388.507 g/mol
SMILES Oc1c(cc(-c2ccc(C3C(C(=O)O)C3)cc2)cc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-0309000000-e2a1a824f5ffe5fd41c3
Source of Spectrum AF-48-4942-18
Synonyms 2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-1-cyclopropanecarboxylic acid 2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]cyclopropane-1-carboxylic acid 2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]cyclopropane-1-carboxylic acid
Wiley ID 1693975