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1-(4-((3r,5r,7r)-adamantan-1-yl)phenyl)ethanone
SpectraBase Compound ID EnKc13Smn7U
InChI InChI=1S/C18H22O/c1-12(19)16-2-4-17(5-3-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,18-
InChIKey MSPDNPMYZVJMAM-OVMOHIIOSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ztG65n0Uit
Name 1-(4-((3r,5r,7r)-adamantan-1-yl)phenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c1-12(19)16-2-4-17(5-3-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,18-
InChIKey MSPDNPMYZVJMAM-OVMOHIIOSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 254.373 g/mol
SMILES C1[C@]2(C[C@@]3(CC(c4ccc(cc4)C(C)=O)(C2)C[C@]1(C3)[H])[H])[H]
SPLASH splash10-0006-9000000000-5d82e86d4b63aa19ba2a
Source of Spectrum A1-16-2418/SMS7-4c
Wiley ID 1749416