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3-[3'-(Adamantan-1-yl)-4'-hydroxy-2-formylbiphenyl-4-yl]-acrylic Acid
SpectraBase Compound ID 4U4b1CN70HM
InChI InChI=1S/C26H26O4/c27-15-21-10-16(2-6-25(29)30)1-4-22(21)20-3-5-24(28)23(11-20)26-12-17-7-18(13-26)9-19(8-17)14-26/h1-6,10-11,15,17-19,28H,7-9,12-14H2,(H,29,30)/b6-2+/t17-,18+,19-,26-
InChIKey LHAJOROKCPJABM-WGPBZRNXSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gGGEPSGIBO
Name 3-[3'-(Adamantan-1-yl)-4'-hydroxy-2-formylbiphenyl-4-yl]-acrylic Acid
Alternate Name(s) (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-formylphenyl]-2-propenoic acid (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-formylphenyl]prop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-formyl-phenyl]prop-2-enoic acid (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-methanoyl-phenyl]prop-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O4
InChI InChI=1S/C26H26O4/c27-15-21-10-16(2-6-25(29)30)1-4-22(21)20-3-5-24(28)23(11-20)26-12-17-7-18(13-26)9-19(8-17)14-26/h1-6,10-11,15,17-19,28H,7-9,12-14H2,(H,29,30)/b6-2+/t17-,18+,19-,26-
InChIKey LHAJOROKCPJABM-WGPBZRNXSA-N
Molecular Weight 402.490 g/mol
SMILES OC(\C=C\c1cc(c(-c2cc(c(cc2)O)C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1)C=O)=O
SPLASH splash10-004r-0809000000-09c74d9f59d417b2c78b
Source of Spectrum AF-48-4943-27a
Wiley ID 1693974