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(3r,5r,7r)-1-((E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl)adamantane
SpectraBase Compound ID Jg3FxKYViNT
InChI InChI=1S/C21H26O/c1-15(3-4-16-5-7-20(22-2)8-6-16)21-12-17-9-18(13-21)11-19(10-17)14-21/h3-8,17-19H,1,9-14H2,2H3/b4-3+/t17-,18+,19-,21-
InChIKey FBAFBOWVNLQARE-DCXRJTRLSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBogWtsCxVh
Name (3r,5r,7r)-1-((E)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl)adamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O
InChI InChI=1S/C21H26O/c1-15(3-4-16-5-7-20(22-2)8-6-16)21-12-17-9-18(13-21)11-19(10-17)14-21/h3-8,17-19H,1,9-14H2,2H3/b4-3+/t17-,18+,19-,21-
InChIKey FBAFBOWVNLQARE-DCXRJTRLSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 294.438 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C(\C=C\c1ccc(cc1)OC)=C)[H]
SPLASH splash10-0a4u-2910000000-516f4da364d0aa8d8974
Source of Spectrum KD-50-8050/SMS5-3c
Wiley ID 1754733