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Ethyl 4-((3r,5r,7r)-adamantane-1-carbonyl)benzoate
SpectraBase Compound ID IHtyVtZXcZg
InChI InChI=1S/C20H24O3/c1-2-23-19(22)17-5-3-16(4-6-17)18(21)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,20-
InChIKey RCLBWXSVJORNGG-PVGDPBLGSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy26aNBSBXj
Name Ethyl 4-((3r,5r,7r)-adamantane-1-carbonyl)benzoate
Appearance Colorless oil
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Exact Mass 312.172544630 u
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-2-23-19(22)17-5-3-16(4-6-17)18(21)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,20-
InChIKey RCLBWXSVJORNGG-PVGDPBLGSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201706609
Molecular Weight 312.409 g/mol
Quality 92
Reported Formula C20H24O3
SMILES C(C)OC(C1=CC=C(C=C1)C(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O
SPLASH splash10-000i-2901000000-4e97f885299c3ea1c678
Source of Spectrum ACI-56-SM22-7i (DOI: 10.1002/anie.201706609)
Wiley ID 1896406