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(E)-2-Adamantyl 4-(4-methoxyphenyl)-2-butenoate
SpectraBase Compound ID KcVGXGCtOug
InChI InChI=1S/C21H26O3/c1-23-19-7-5-14(6-8-19)3-2-4-20(22)24-21-17-10-15-9-16(12-17)13-18(21)11-15/h2,4-8,15-18,21H,3,9-13H2,1H3/b4-2+/t15-,16+,17-,18+,21-
InChIKey PWFDDUVJYQAQSV-XPXQCDDASA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAimO90y4kP
Name (E)-2-Adamantyl 4-(4-methoxyphenyl)-2-butenoate
Alternate Name(s) (E)-(1R,3S,5r,7r)-adamantan-2-yl 4-(4-methoxyphenyl)but-2-enoate (E)-4-(4-methoxyphenyl)-2-butenoic acid 2-adamantyl ester 2-Adamantyl (E)-4-(4-methoxyphenyl)but-2-enoate
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Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-23-19-7-5-14(6-8-19)3-2-4-20(22)24-21-17-10-15-9-16(12-17)13-18(21)11-15/h2,4-8,15-18,21H,3,9-13H2,1H3/b4-2+/t15-,16+,17-,18+,21-
InChIKey PWFDDUVJYQAQSV-XPXQCDDASA-N
Literature Reference DOI 10.1021/ol800028x
Molecular Weight 326.436 g/mol
SMILES C1[C@]2(C[C@]3(C([C@@]1(C[C@](C3)(C2)[H])[H])OC(\C=C\Cc1ccc(cc1)OC)=O)[H])[H]
SPLASH splash10-002o-3902000000-4dcd1f3b0430bfc10927
Source of Spectrum A1-10-1325/SM-Table2,Entry5
Wiley ID 1759207